Table I

Compiled Information for the Group 1 Extractables

Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^{^e}		In Vitro^{^d}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^d}
2,4-Dichlorobenzoic acid	50-84-0	830	LD₅₀	oral	mouse	4	10	10	10	10	5.81	3	Neg	Neg	Neg1
Glycerine	56-81-5	4250	LD₅₀	i.v.	mouse	5	10	10	1	10	298	1	Neg	Neg	Neg1^{^a}
Palmitic Acid	57-10-3	57	LD₅₀	i.v.	mouse	6	10	10	1	10	3.99	1	Neg	Neg	Neg1
Stearic acid	57-11-4	21.5	LD₅₀	i.v.	rats	7	10	10	1	10	1.51	1	Neg	Neg	Neg1
Urea	57-13-6	3000	LD_LO	i.v.	dog	8	10	10	1	10	210	1	Neg	Neg	Pos1^{^a}
Propylene glycol	57-55-6	4200	LD_LO	i.v.	rabbit	9	10	10	1	10	294	1	Neg	Neg	Neg1^{^a}
Linoleic acid	60-33-3	280	LD₅₀	i.p.	mouse	10	10	10	10	10	1.96	1	Neg	Neg	Neg2
Formic acid	64-18-6	2.57	PDE	i.v.	human	11	10	1	1	1	18.0	1	Neg	Neg	Neg1
Acetic acid	64-19-7	45.7	PDE	i.v.	human	11	10	1	1	1	320	1	Neg	Neg	Neg1
Benzoic acid	65-85-0	500	LD_LO	oral	human	12	10	1	10	10	35.0	1	Neg	Neg	Neg1^{^a}
		1700	LD₅₀	i.v.	rats	12	10	10	1	10	119
		4.4	EPA RfD	oral	human	13	10	1	10	1	3.08
Hexanal	66-25-1	4890	LD₅₀	oral	rats	14	10	10	10	10	34.2	1	Pos^{^e}	Neg	N/A
Isopropanol	67-63-0	1024	LD_LO	i.v.	dog	15	10	10	1	10	71.9	1	Neg	Neg	Neg1^{^b}
Acetone	67-64-1	3	PDE	N/A	human	11	10	1	1	1	21.0	1	Neg	Neg	Neg1
Dimethylformamide	68-12-2	470	LD₅₀	i.v.	dog	16	10	10	1	10	32.9	3	Neg	Neg	Neg2^{^b}
p-Toluenesulfonamide	70-55-3	250	LD₅₀	i.p.	mouse	17	10	10	10	10	1.75	3	Neg	Neg	N/A
p-Toluenesulfonamide	70-55-3	50	NOEL	oral	rats	18	10	10	10	1	3.50	3	Neg	Neg	N/A
1-Butanol	71-36-3	310	LD₅₀	i.v.	rats	19	10	10	1	10	21.7	1	Neg	Neg	Neg1
1-Pentanol	71-41-0	15	LD_LO	i.v.	cats	20	10	10	1	10	1.05	1	Neg	Neg	N/A
4-Chlorobenzoic acid	74-11-3	1000	LD₅₀	i.p.	rats	21	10	10	10	10	7.00	3	Neg	Pos^{^f}	Neg1
Ethyl aldehyde	75-07-0	10.6	TD_LO	i.v.	human	22	10	1	1	10	7.42	1	Pos^{^e}	Neg	Neg1^{^c}
Carbon disulfide	75-15-0	7.6	TD_LO	i.p.	rats	23	10	10	10	10	0.053	3	Neg	Neg	N/A
2,2-Dimethylpropanoic acid	75-98-9	900	LD₅₀	oral	rats	24	10	10	10	10	6.30	1	Neg	Neg	N/A
Tributyl acetylcitrate	77-90-7	4000	LD₅₀	i.p.	mouse	25	10	10	10	10	28.0	1	Neg	Pos^{^g}	Neg2
Diethoxydimethylsilane	78-62-6	9280	LD₅₀	oral	rats	26	10	10	10	10	65.0	3	Neg	Neg	Neg2
2-Butanone	78-93-3	361	TD_LO	i.p.	rats	27	10	10	10	10	2.53	1	Neg	Neg	Neg2
Propionic acid	79-09-4	625	LD₅₀	i.v.	mouse	28	10	10	1	10	43.8	1	Neg	Neg	Neg1
Hydroxyacetic acid	79-14-1	1000	LD₅₀	i.v.	cat	29	10	10	1	10	70.0	1	Neg	Neg	Pos1
2-Hydroxypropanoic acid	79-33-4	3194	LD₅₀	i.p.	mouse	30	10	10	10	10	22.4	1	Neg	Neg	N/A
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^ⁱ		In Vitro^{^h}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^h}
1,1,2,2-Tetrachloroethane	79-34-5	50	LD_LO	i.v.	dog	31	10	10	1	10	3.50	3	Pos^{^j}	Neg	Pos1^{^c}
Bisphenol A	80-05-7	5	NOEL	oral	mouse	32	10	10	10	1	0.35	3	Neg	Neg	Neg1
4-tert-Amylphenol	80-46-6	1830	LD₅₀	oral	rats	33	10	10	10	10	12.8	1	Neg	Neg	Neg1
Methacrylic acid, methyl ester	80-62-6	945	LD₅₀	i.p.	mouse	34	10	10	10	10	6.62	1	Neg	Neg	Pos1^{^b}
Methacrylic acid, methyl ester	80-62-6	113	LD_LO	i.v.	dog	35	10	10	1	10	7.91	1	Neg	Neg	Pos1^{^b}
Diethyl phthalate	84-66-2	100	LD₅₀	i.v.	rabbit	36	10	10	1	10	7.00	1	Neg	Pos^{^l}	Neg1
Diisobutyl phthalate	84-69-5	3990	LD₅₀	i.p.	mouse	37	10	10	10	10	27.9	1	Neg	Pos^{^l}	Neg1
Dibutyl phthalate	84-74-2	720	LD₅₀	i.v.	mouse	38	10	10	1	10	50.4	1	Neg	Pos^{^l}	Neg1
Phthalic anhydride	85-44-9	100	LD₅₀	i.p.	guinea pig	39	10	10	10	10	0.700	3	Neg	Neg	Pos1^{^b}
Benzyl butyl phthalate	85-68-7	159	NOAEL	oral	rats	40	10	10	10	1	11.1	1	Neg	Pos^{^l}	Neg1^{^d}
2-Furancarboxylic acid	88-14-2	100	LD₅₀	i.p.	mouse	41	10	10	10	10	0.700	3	Neg	Neg	Neg1
o-Toluenesulfonamide	88-19-7	4870	LD₅₀	oral	rats	42	10	10	10	10	34.1	3	Neg	Neg	Neg1^{^e}
3,5-Di-tert-butyl-4-hydroxybenzyl alcohol	88-26-6	7000	LD_LO	oral	rats	43	10	10	10	10	49.0	2	Neg	Neg	N/A^{^a}
3,5-Di-tert-butyl-4-hydroxybenzyl alcohol	88-26-6	175	TD_LO	oral	rats	43	10	10	10	10	1.23	2	Neg	Neg	N/A^{^a}
Phthalic acid	88-99-3	250	LD₅₀	i.p.	mouse	44	10	10	10	10	1.75	1	Neg	Pos^{^l}	Neg1
Phthalic acid	88-99-3	102	TD_LO	oral	rats	44	10	10	10	10	0.714	1	Neg	Pos^{^l}	Neg1
o-Hydroxybiphenyl	90-43-7	100	NOAEL	oral	rats	45	10	10	10	1	7.00	3	Neg	Pos^{^k}	Pos2^{^f}
α-Phenylbenzenemethanol	91-01-0	5000	LD₅₀	oral	rats	46	10	10	10	10	35.0	3	Neg	Neg	N/A
Hexanoic acid, 2-ethyl-, diester with triethylene glycol	94-28-0	13677	LD₅₀	dermal	rabbit	47	10	10	10	10	95.7	1	Neg	Pos^{^m}	N/A
2-Ethyl-1,3-hexanediol	94-96-2	131	LD₅₀	i.v.	rats	48	10	10	1	10	9.17	1	Neg	Pos^{^m}	Neg2
Benzothiazole	95-16-9	95	LD₅₀	i.v.	mouse	49	10	10	1	10	6.65	3	Neg	Neg	Neg1
o-Xylene	95-47-6	1500	LD_LO	i.p.	mammal	50	10	10	10	10	10.5	1	Neg	Neg	Neg1
1,2,4-Trimethylbenzene	95-63-6	1752	LD_LO	i.p.	rat	51	10	10	10	10	12.3	1	Neg	Neg	Neg1^{^g}
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^ⁱ		In Vitro^{^h}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^h}
2,4-Di-t-butyl phenol	96-76-4	100	LD₅₀	i.v.	mouse	52	10	10	1	10	7.00	1	Neg	Neg	N/A
2,4-Di-t-butyl phenol	96-76-4	25	LD₅₀	i.p.	mouse	52	10	10	10	10	0.175	1	Neg	Neg	N/A
1-Methylethylbenzene	98-82-8	0.01	PDE	N/A	human	53	10	1	1	1	0.07	1	Neg	Neg	Neg1
Acetophenone	98-86-2	200	LD₅₀	i.p.	mouse	54	10	10	10	10	1.40	1	Neg	Neg	Neg1
		0.1	EPA RfD	oral	human	55	10	1	10	1	0.07
		423	NOAEL	oral	rats	55	10	10	10	1	29.6
2-Propyl valeric acid	99-66-1	20	TD_LO	i.v.	human	56	10	10	1	1	14.0	1	Neg	Pos^{^l}	N/A
Terephthalic acid	100-21-0	767	TD_LO	i.v.	dogs	57	10	10	1	10	53.7	1	Neg	Neg	Neg1
Ethyl benzene	100-41-4	1062	TD_LO	i.p.	rats	58	10	10	10	10	7.43	1	Neg	Neg	Pos1^{^c}
Styrene	100-42-5	0.28	EPA RfC	inhaled	human	59	10	1	1	1	1.96	1	Neg	Neg	Neg2^{^d}
4-Cyanocyclohexene	100-45-8	460	LD₅₀	oral	rats	60	10	10	10	10	3.22	3	Neg	Neg	N/A
Benzyl alcohol	100-51-6	50	LD_LO	i.v.	dog	61	10	10	1	10	3.50	1	Neg	Neg	Pos1^{^b}
Benzaldehyde	100-52-7	9	LD₅₀	i.p.	mouse	62	10	10	10	10	0.063	1	Pos^{^j}	Neg	Pos1^{^e}
Benzaldehyde	100-52-7	0.1	EPA RfD	oral	human	63	10	1	10	1	0.07	1	Pos^{^j}	Neg	Pos1^{^e}
Diphenylmethane diisocyanate	101-68-8	2200	LD₅₀	oral	mouse	64	10	10	10	10	15.4	3	Pos^{^k}	Neg	Pos1
Diphenyl ether	101-84-8	2450	LD₅₀	oral	rats	65	10	10	10	10	17.2	3	Neg	Neg	Neg1
Diphenyl ether	101-84-8	301	NOAEL	oral	rats	66	10	10	10	1	21.1	3	Neg	Neg	Neg1
2-Ethylhexyl acrylate	103-11-7	1326	LD₅₀	i.p.	mouse	67	10	10	10	10	9.28	1	Neg	Pos^{^l}	Neg1
Bis(2-ethylhexyl)adipate	103-23-1	540	LD₅₀	i.v.	rabbit	68	10	10	1	10	37.8	1	Neg	Pos^{^l}	Neg1^{^f}
Dibenzyl amine	103-49-1	395	LD₅₀	oral	rats	69	10	10	10	10	2.77	3	Neg	Neg	N/A
Dihydro-5-pentyl-2(3H)-furanone	104-61-0	3440	LD₅₀	oral	guinea pig	70	10	10	10	10	24.1	2	Neg	Neg	N/A
2-Ethyl-1-hexanol	104-76-7	500	LD₅₀	i.p.	rats	71	10	10	10	10	3.50	1	Neg	Pos^{^l}	Neg1^{^g}
2-Ethyl-1-hexanol	104-76-7	50	NOAEL	oral	rats	72, 73	10	10	10	1	3.50	1	Neg	Pos^{^l}	Neg1^{^g}
p-Methylbenzaldehyde	104-87-0	400	LD₅₀	i.p.	mouse	74	10	10	10	10	2.80	1	Pos^{^j}	Neg	Neg1
1,4-Cyclohexanedimethanol	105-08-8	800	LD_LO	i.p.	rats	75	10	10	10	10	5.60	1	Neg	Neg	N/A
1,1-Diethoxyethane	105-57-7	500	LD₅₀	i.p.	mouse	76	10	10	10	10	3.50	1	Neg	Neg	Pos1
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^{^g}		In Vitro^{^f}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^f}
Caprolactam	105-60-2	300	LD	i.v.	rabbit	77	10	10	1	10	21.0	3	Neg	Neg	Neg2^{^b}
3-Heptanone	106-35-4	2760	LD₅₀	oral	rats	78	10	10	10	10	19.3	2	Neg	Neg	N/A
p-Xylene	106-42-3	2000	LD_LO	i.p.	mammal	79	10	10	10	10	14.0	1	Neg	Neg	Neg1
Acrylonitrile	107-13-1	0.00004	EPA RfC	inhaled	human	80	10	1	1	1	0.001	3	Neg	Neg	Pos1^{^c}
Ethylene glycol	107-21-1	0.09	PDE	N/A	human	81	10	1	1	1	0.63	1	Neg	Neg	Neg2^{^b}
3-Methyl-2-butenal	107-86-8	378	LD₅₀	i.p.	mouse	82	10	10	10	10	2.65	1	Pos^ⁱ	Neg	N/A
Butyric acid	107-92-6	500	LD_LO	oral	mouse	83	10	10	10	10	3.50	1	Neg	Neg	Neg1
Methyisobutylketone	108-10-1	1.43	PDE	N/A	human	11	10	1	1	1	10.0	1	Neg	Neg	Pos1
3,5-Dimethylphenol	108-68-9	156	LD₅₀	i.p.	mouse	84	10	10	10	10	1.09	1	Neg	Neg	Neg1
Toluene	108-88-3	0.08	EPA RfD	oral	human	85	10	1	10	1	0.056	1	Neg	Neg	Neg1
Toluene	108-88-3	0.127	PDE	N/A	human	81	10	1	1	1	0.89	1	Neg	Neg	Neg1
Cyclohexanol	108-93-0	272	LD₅₀	i.v.	mouse	86	10	10	1	10	19.0	2	Neg	Neg	Neg1
Cyclohexanone	108-94-1	100	NOEL	i.v.	rats	87	10	10	1	1	70.0	2	Neg	Neg	Pos1^{^b}
Phenol	108-95-2	112	LD₅₀	i.v.	mouse	88	10	10	1	10	7.84	1	Neg	Neg	Pos1^{^b}
Phenol	108-95-2	0.3	EPA RfD	oral	human	89	10	1	10	1	0.21	1	Neg	Neg	Pos1^{^b}
3-Hydroxypyridine	109-00-2	200	TD_LO	i.p.	mouse	90	10	10	10	10	1.40	3	Neg	Neg	N/A
Butanoic acid, butyl ester	109-21-7	2300	LD₅₀	i.p.	rats	91	10	10	10	10	16.1	1	Neg	Neg	Neg1
Pentanoic acid	109-52-4	1290	LD₅₀	i.v.	mouse	92	10	10	1	10	90.3	1	Neg	Neg	N/A
Tetrahydrofuran	109-99-9	7.2	PDE	N/A	human	93	10	1	1	1	50.4	3	Neg	Neg	Neg1^{^e}
Succinic acid	110-15-6	1.5	TD_LO	oral	mouse	94	10	10	10	10	0.011	1	Neg	Neg	N/A
Succinic acid	110-15-6	1400	LD₅₀	i.v.	mouse	94	10	10	1	10	98.0	1	Neg	Neg	N/A
Pentanal	110-62-3	5.66	LD₅₀	oral	rats	95	10	10	10	10	0.040	1	Pos^{^h}	Neg	Pos1
Tetramethylene glycol	110-63-4	10	TD_LO	oral	human	96	10	1	10	10	0.70	1	Neg	Neg	Neg1
2-Ethoxyethanol	110-80-5	143	TD_LO	oral	human	97	10	1	10	10	10.0	1	Neg	Neg	Neg1
2-Ethoxyethanol	110-80-5	900	LD₅₀	i.v.	rabbit	97	10	10	1	10	63.0	1	Neg	Neg	Neg1
Pyridine	110-86-1	1.0	NOAEL	oral	rats	98	1	10	10	10	0.07	3	Neg	Neg	Neg2^{^j}
Piperidine	110-89-4	160	TD_LO	i.v.	rabbit	99	10	10	1	10	11.2	3	Neg	Neg	Pos1^{^b}
Piperidine	110-89-4	300	TD_LO	i.v.	rabbit	99	10	10	1	10	21.0	3	Neg	Neg	Pos1^{^b}
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^{^g}		In Vitro^{^f}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^f}
Pentanedioic acid	110-94-1	2750	LD₅₀	oral	rats	100	10	10	10	10	19.3	1	Neg	Neg	N/A
Squalene	111-02-4	1800	LD₅₀	i.v.	mouse	101	10	10	1	10	126	1	Neg	Neg	Neg1
2-Octanone	111-13-7	800	LD₅₀	i.p.	mouse	102	10	10	10	10	5.60	2	Neg	Neg	N/A
Heptanoic acid	111-14-8	1200	LD₅₀	i.v.	mouse	103	10	10	1	10	84.0	1	Neg	Neg	Neg1
Sebacic acid	111-20-6	500	LD₅₀	i.p.	mouse	104	10	10	10	10	3.50	1	Neg	Neg	Neg1
1-Hexanol	111-27-3	103	LD₅₀	i.v.	mouse	105	10	10	1	10	7.21	1	Neg	Neg	N/A
Diethylene glycol	111-46-6	2236	TD_LO	i.v.	rabbit	106	10	10	1	10	157	1	Neg	Neg	Neg1^{^d}
Octdecanoic acid, 2-hydroethyl ester	111-60-4	200	LD₅₀	i.p.	mouse	107	10	10	10	10	1.40	1	Neg	Neg	N/A
Octadecanoic acid, ethyl ester	111-61-5	5000	LD₅₀	oral	rats	108	10	10	10	10	35.0	1	Neg	Neg	N/A
Octadecenoic acid, ethyl ester	111-62-6	5000	LD₅₀	oral	rats	109	10	10	10	10	35.0	1	Neg	Neg	N/A
1-Heptanol	111-70-6	256	TD_LO	i.p.	rats	110	10	10	10	10	1.79	1	Neg	Neg	N/A
2-(1-Butoxy) ethanol	111-76-2	252	LD₅₀	i.v.	rabbit	111	10	10	1	10	17.6	1	Neg	Neg	Neg1^{^e}
Octanol	111-87-5	69	LD₅₀	i.v.	mouse	112	10	10	1	10	4.83	1	Neg	Neg	Neg1
Ethylethoxyethanol	111-90-0	1000	LD_LO	i.v.	cat	113	10	10	1	10	70.0	1	Neg	Neg	N/A
Ethylethoxyethanol	111-90-0	167	NOEL	oral	pigs	114	10	10	10	1	11.7	1	Neg	Neg	N/A
Dibutyl amine	111-92-2	110	LD₅₀	i.p.	rats	115	10	10	10	10	0.77	3	Neg	Neg	N/A
Nonanoic acid	112-05-0	224	LD₅₀	i.v.	mouse	116	10	10	1	10	15.7	1	Neg	Neg	N/A
2-(2-Ethoxyethoxy) ethyl acetate	112-15-2	4400	LD₅₀	oral	rabbit	117	10	10	10	10	30.8	1	Neg	Neg	N/A
Triethylene glycol	112-27-6	1900	LD₅₀	i.v.	rabbit	118	10	10	1	10	133	1	Neg	Neg	Neg1^{^b}
2-(2-Butoxyethoxy)ethanol	112-34-5	850	LD₅₀	i.p.	mouse	119	10	10	10	10	5.95	1	Neg	Neg	Pos1
Undecanoic acid	112-37-8	140	LD₅₀	i.v.	mouse	120	10	10	1	10	9.80	1	Neg	Neg	N/A
Hexadecanoic acid, methyl ester	112-39-0	750	TD_LO	i.v.	mouse	121	10	10	1	10	52.5	1	Neg	Neg	N/A
1-Dodecene	112-41-4	10000	TD_LO	oral	mouse	122	10	10	10	10	70.0	1	Neg	Neg	N/A
Dodecanol	112-53-8	390	LD₅₀	i.v.	rats	123	10	10	1	10	27.3	1	Neg	Neg	Neg1
		8000	TD_LO	subq	guinea pig	123	10	10	10	10	56.0
		100	NOAEL	oral	rats	124	10	10	10	1	7.00
Dodecanal	112-54-9	23000	LD₅₀	oral	rats	125	10	10	10	10	161	1	Pos^{^h}	Neg	N/A
Tetraethylene glycol	112-60-7	200	TD_LO	oral	rats	126	10	10	10	10	1.40	1	Neg	Neg	N/A
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^{^e}		In Vitro^{^d}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^d}
Octadecenoic acid, methyl ester	112-62-9	2000	LD₅₀	oral	rats	127	10	10	10	10	14.0	1	Neg	Neg	N/A
Tetradecanol	112-72-1	5000	LD₅₀	oral	rats	128	10	10	10	10	35.0	1	Neg	Neg	N/A
Oleic acid	112-80-1	0.08	TD_LO	i.v.	monkey	129	10	10	1	10	0.006	1	Neg	Neg	Neg1
Oleic acid	112-80-1	100	TD_LO	i.v.	rats	129	10	10	1	10	7.00	1	Neg	Neg	Neg1
Erucamide	112-84-5	5000	LD₅₀	oral	rats	130	10	10	10	10	35.0	3	Neg	Neg	Neg1
Erucamide	112-84-5	7500	NOAEL	oral	rats	130	10	10	10	1	525	3	Neg	Neg	Neg1
Oleonitrile	112-91-4	5000	LD₅₀	oral	rats	131	10	10	10	10	35.0	3	Neg	Neg	N/A
Octadecanol	112-92-5	2000	LD₅₀	oral	rats	132	10	10	10	10	14.0	1	Neg	Neg	Neg1
Triphenylphosphate	115-86-6	300	TD_LO	subcu	cat	133	10	10	10	10	2.10	3	Neg	Neg	Neg1
Bis-(2-ethylhexyl) phthalate	117-81-7	60	NOAEL	N/A	rats	134	10	10	1	1	42.0	1	Neg	Pos^{^g}	Pos1^{^c}
Octyldecyl phthalate	119-07-3	44070	LD₅₀	oral	rats	135	10	10	10	10	308	1	Neg	Pos^{^h}	N/A
Benzophenone	119-61-9	20	NOAEL	oral	rats	136	10	10	10	1	1.40	3	Neg	Neg	Neg2
9,10-Dihydroxystearic acid	120-87-6	178	LD₅₀	i.v.	rats	137	10	10	1	10	12.5	2	Neg	Neg	N/A
9,10-Dihydroxystearic acid	120-87-6	1000	NOAEL	oral	rats	137	10	10	10	1	70.0	2	Neg	Neg	N/A
4-Hydroxy-3-methoxybenzoic acid	121-34-6	2691	LD₅₀	i.p.	mouse	138	10	10	10	10	18.8	1	Neg	Neg	N/A
1,3-Benzenedicarboxylic acid	121-91-5	4200	LD₅₀	i.p.	mouse	139	10	10	10	10	29.4	1	Neg	Neg	Neg1
Triisopropanolamine	122-20-3	2520	LD₅₀	oral	mouse	140	10	10	10	10	17.6	1	Neg	Neg	Neg1^{^b}
Triisopropanolamine	122-20-3	272	NOAEL	oral	dog	141	10	10	10	1	19.0	1	Neg	Neg	Neg1^{^b}
2-Ethyl-1-hexanal	123-05-7	500	LD₅₀	i.p.	rats	142	10	10	10	10	3.50	1	Pos^{^f}	Neg	Neg1
Nonanoic acid, ethyl ester	123-29-5	24000	LD₅₀	oral	guinea pig	143	10	10	10	10	168	1	Neg	Neg	N/A
Azelaic acid	123-99-9	5000	LD₅₀	oral	rats	144	10	10	10	10	35.0	1	Neg	Neg	N/A
Adipic acid	124-04-9	680	LD₅₀	i.v.	mouse	145	10	10	1	10	47.6	1	Neg	Pos^{^h}	Neg2
Octanoic acid	124-07-2	600	LD₅₀	i.v.	mouse	146	10	10	1	10	42.0	1	Neg	Neg	Neg1
Tetradecanoic acid, ethyl ester	124-10-7	2000	LD₅₀	oral	rats	147	10	10	10	10	14.0	1	Neg	Neg	N/A
Octanal	124-13-0	60	LD₅₀	i.v.	mouse	148	10	10	1	10	4.20	1	Pos^{^f}	Neg	N/A
Nonanal	124-19-6	5000	LD₅₀	oral	rats	149	10	10	10	10	35.0	1	Pos^{^f}	Neg	Neg2
Octadecanamide	124-26-5	10000	LD₅₀	oral	rats	150	10	10	10	10	70.0	3	Neg	Neg	Neg1
Stearylamine	124-30-1	3	NOAEL	oral	dog	151	10	10	10	1	0.21	1	Neg	Neg	Neg1
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^{^g}		In Vitro^{^d}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^d}
Neopentyl glycol	126-30-7	3200	LD₅₀	oral	rats	152	10	10	10	10	22.4	1	Neg	Neg	Neg1
Tributyl phosphate	126-73-8	100	LD_LO	i.v.	rats	153	10	10	1	10	7.00	3	Pos^ⁱ	Neg	Neg1^{^c}
2,4,7,9-Tetramethyl-5-decyn-4,7-diol	126-86-3	500	LD₅₀	oral	rats	154	10	10	10	10	3.50	3	Neg	Neg	N/A
Diphenyl sulfone	127-63-9	320	LD₅₀	i.v.	mouse	155	10	10	1	10	22.4	3	Neg	Neg	N/A
2,6-Di-t-butyl-4-methyl phenol (BHT)	128-37-0	180	LD₅₀	i.v.	mouse	156	10	10	1	10	12.6	2	Neg	Neg	Neg1^{^d}
		650	LD₅₀	Subq	mouse	156	10	10	10	10	4.55
		0.596	PEL	inhaled	human	157	10	10	1	1	0.417
		25	NOAEL	oral	rats	158	10	10	10	1	1.75
2,6-Di-tert-butylphenol	128-39-2	10	LD_LO	i.v.	rabbit	159	10	10	1	10	0.700	2	Neg	Neg	N/A
1,2-Benzenecarboxylic acid, monobutyl ester	131-70-4	400	TD_LO	oral	mouse	160	10	10	10	10	2.80	1	Neg	Pos^{^j}	N/A
Tetramethylbutyl phenol	140-66-9	5	TD_LO	i.p.	mouse	161	10	10	10	10	0.035	1	Neg	Neg	Neg1
2-Ethylhexyl fumarate	141-02-6	250	LD₅₀	i.p.	mouse	162	10	10	10	10	1.75	1	Neg	Pos^{^k}	N/A
Ricinoleic acid	141-22-0	10000	LD₅₀	oral	rats	163	10	10	10	10	70.0	2	Neg	Neg	Neg1
Decamethyltetrasiloxane	141-62-8	25	NOEL	oral	rats	164	10	10	10	1	1.75	3	Neg	Neg	N/A
1,1,1,5,5,5-Hexamethyl-3,3-bisoxytrisiloxane	141-63-9	50000	LD_LO	oral	guinea pig	165	10	10	10	10	350	3	Neg	Neg	N/A
Ethyl acetate	141-78-6	709	LD₅₀	i.p.	mouse	166	10	10	10	10	4.96	1	Neg	Neg	Neg1
Hexanoic acid	142-62-1	1725	LD₅₀	i.v.	mouse	167	10	10	1	10	121	1	Neg	Neg	Neg1
Dodecanoic acid	143-07-7	131	LD₅₀	i.v.	mouse	168	10	10	1	10	9.17	1	Neg	Neg	Neg1
Nonanol	143-08-8	800	LD₅₀	i.p.	mouse	169	10	10	10	10	5.60	1	Neg	Neg	N/A
2-Mercaptobenzothiazole	149-30-4	100	LD₅₀	oral	rats	170	10	10	10	10	0.700	3	Neg	Neg	Pos1^{^l}
2-Ethylhexanoic acid	149-57-5	270	LD₅₀	i.p.	mouse	171	10	10	10	10	1.89	1	Neg	Neg	Neg1
		61	NOAEL	oral	rats	172	10	10	10	1	4.27
		25	NOAEL	oral	rabbit	173	10	10	10	1	1.75
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^{^f}		In Vitro^{^e}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^e}
4-Methoxyphenol	150-76-5	200	TD_LO	i.p.	mouse	174	10	10	10	10	1.40	1	Neg	Neg	Neg1^{^c}
Cyclohexene oxide	286-20-4	549	LD₅₀	i.p.	rats	175	10	10	10	10	3.84	3	Pos^{^g}	Neg	Pos2
Oleamide	301-02-0	5	TD_LO	i.p.	rats	176	10	10	10	10	0.035	3	Neg	Neg	Neg1
Decanoic acid	334-48-5	129	LD₅₀	i.v.	mouse	177	10	10	1	10	9.03	1	Neg	Neg	Neg1
3,5-Dimethylbenzoic acid	499-06-9	750	LD₅₀	i.p.	mouse	178	10	10	10	10	5.25	1	Neg	Neg	N/A
Caprolactone	502-44-3	1300	LD₅₀	i.p.	mouse	179	10	10	10	10	9.10	1	Neg	Neg	N/A
3-Methylbutanoic acid	503-74-2	1120	LD₅₀	i.v.	mouse	180	10	10	1	10	21.7	1	Neg	Neg	N/A
Heptadecanoic acid (Margaric acid)	506-12-7	36	LD₅₀	i.v.	mouse	181	10	10	1	10	2.52	1	Neg	Neg	N/A
Abietic acid	514-10-3	180	LD₅₀	i.v.	mouse	182	10	10	1	10	12.6	3	Neg	Neg	Neg2
2-Chloroacetophenone	532-27-4	30	LD₅₀	i.v.	rabbit	183	10	10	1	10	2.10	3	Pos^{^h}	Neg	Neg1^{^b}
Decamethylcyclopentasiloxane	541-02-6	24134	LD₅₀	oral	rats	184	10	10	10	10	169	3	Neg	Neg	Neg2
Myristic acid	544-63-8	43	LD₅₀	i.v.	mouse	185	10	10	1	10	3.01	1	Neg	Neg	Neg1
Octamethylcyclotetrasiloxane	556-67-2	100	TD_LO	N/A	mouse	186	10	10	10	10	0.70	3	Neg	Neg	Neg2
5-Quinolinol	578-67-6	0.00086	TTC	N/A	human	187	10	1	1	1	0.006	3	Neg	Neg	Neg1
2-Methyl cyclohexanol	583-59-5	1000	LD₅₀	i.m.	mouse	188	10	10	10	10	7.00	2	Neg	Neg	N/A
3-Heptanol	589-82-2	180	TD_LO	i.p.	rats	189	10	10	10	10	1.26	2	Neg	Neg	N/A
Propanoic acid, butyl ester	590-01-2	5000	LD₅₀	oral	rats	190	10	10	10	10	35.0	1	Neg	Neg	N/A
2-Pyrrolidinone	616-45-5	800	LD_LO	i.v.	rabbit	191	10	10	1	10	56.0	3	Neg	Neg	N/A
α-α-Dimethylbenzenemethanol	617-94-7	1300	LD₅₀	oral	rats	192	10	10	10	10	9.10	3	Neg	Neg	N/A
m-Methylbenzaldehyde	620-23-5	1600	LD₅₀	oral	rat	193	10	10	10	10	11.2	1	Pos^ⁱ	Neg	N/A
Hexanedioic acid, dimethyl ester	627-93-0	1809	LD₅₀	i.p.	rats	194	10	10	10	10	12.7	1	Neg	Pos^{^j}	N/A
1,6-Hexanediol	629-11-8	1000	NOAEL	oral	rats	195	10	10	10	1	70	1	Neg	Neg	Neg1
Isophthalic acid, diethyl ester	636-09-9	1111	LD_LO	i.p.	mouse	196	10	10	10	10	7.78	1	Neg	Neg	N/A
Diethyl isophthalate	636-53-3	1111	LD_LO	i.p.	mouse	197	10	10	10	10	7.78	1	Neg	Neg	N/A
2,6-Di-tert-butyl-p-benzoquinone	719-22-2	2270	LD₅₀	i.p.	mouse	198	10	10	10	10	15.9	2	Pos^{^c}	Neg	N/A
1-Cyclohexyl-2-ethanone	823-76-7	6800	LD₅₀	oral	mouse	199	10	10	10	10	47.6	1	Neg	Neg	N/A
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^{^b}		In Vitro^{^a}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^a}
1-Methyl-2-pyrrolidinone	872-50-4	54.5	LD₅₀	i.v.	mouse	200	10	10	1	10	3.82	3	Neg	Neg	Neg1^{^d}
2-Cyclohexene-1-one	930-68-7	70	LD₅₀	dermal	rabbit	201	10	10	10	10	0.49	2	Pos^{^d}	Neg	N/A
Diphenylsilanediol	947-42-2	180	LD₅₀	i.v.	mouse	203	10	10	1	10	12.6	3	Neg	Neg	N/A
Pentadecanoic acid	1002-84-2	54	LD₅₀	i.v.	mouse	202	10	10	1	10	3.78	1	Neg	Neg	N/A
1,1'-Carbonothiobis-piperidine	1013-92-9	500	LD_LO	i.p.	mouse	204	10	10	10	10	3.50	3	Neg	Pos^ⁱ	N/A
Trimethylsilanol	1066-40-6	160	NOEL	oral	rats	205	10	10	10	1	11.2	3	Neg	Neg	Neg2
1,1,3,3-Tetramethyl-1,3-disiloxanediol	1118-15-6	1500	TD_LO	oral	rats	206	10	10	10	10	10.5	3	Neg	Neg	N/A
Pentanedioic acid, dimethyl ester	1119-40-0	6400	LD₅₀	oral	rats	207	10	10	10	10	44.8	1	Neg	Neg	N/A
3,5-Di-t-butyl-4-hydroxybenzaldehyde	1620-98-0	1000	LD₅₀	i.p.	mouse	208	10	10	10	10	7.00	2	Pos^{^e}	Neg	N/A
3,5-Di-t-butyl-4-hydroxybenzaldehyde	1620-98-0	968	LD_LO	oral	rats	208	10	10	10	10	6.78	2	Pos^{^e}	Neg	N/A
3,3'-Oxybispropanenitrile	1656-48-0	2830	TD₅₀	oral	rats	209	10	10	10	10	19.8	3	Neg	Neg	N/A
Dehydroabietic acid	1740-19-8	1710	LD₅₀	oral	rats	210	10	10	10	10	12.0	2	Neg	Neg	N/A
Irganox 1076	2082-79-3	1000	LD₅₀	i.p.	rats	211	10	10	10	10	7.00	2	Neg	Neg	N/A
Lauryl acrylate	2156-97-0	3590	LD₅₀	i.p.	mouse	212	10	10	10	10	25.1	1	Neg	Neg	N/A
Vinyl caprolacam	2235-00-9	16.7	NOAEL	inhaled	rats	213	10	10	10	1	1.17	3	Neg	Neg	N/A
Monoethyl phthalate	2306-33-4	700	LD₅₀	i.p.	mouse	214	10	10	10	10	4.90	3	Neg	Pos^{^f}	N/A
Drometrizole	2440-22-4	6500	LD₅₀	oral	mouse	215	10	10	10	10	45.5	3	Neg	Neg	N/A
9,10-Epoxy stearic acid	2443-39-2	250	LD₅₀	oral	rats	216	10	10	10	10	1.75	3	Pos^{^g}	Neg	N/A
3-Methyl-1,3-bis(hydroxy)butane	2568-33-4	5000	LD₅₀	oral	rats	217	10	10	10	10	35.0	3	Neg	Neg	N/A
1-Piperidinecarboxaldehyde	2591-86-8	300	LD_LO	i.v.	rabbit	218	10	10	1	10	21.0	3	Neg	Neg	N/A
Hexaethylene glycol	2615-15-8	32000	LD₅₀	oral	rats	219	10	10	10	10	224	3	Neg	Neg	N/A
Dihydrogenmonolauryl phosphate	2627-35-2	6700	LD₅₀	oral	rats	220	10	10	10	10	46.9	1	Neg	Neg	N/A
Tris(2-ethylhexyl trimellitate)	3319-31-1	2000	LD₅₀	oral	rats	221	10	10	10	10	14.0	1	Neg	Pos^{^h}	Neg1
Tris(2-ethylhexyl trimellitate)	3319-31-1	654	NOAEL	oral	rats	222	10	10	10	1	45.8	1	Neg	Pos^{^h}	Neg1
Nonaethylene glycol	3386-18-3	37000	LD₅₀	oral	rats	223	10	10	10	10	259	3	Neg	Neg	N/A
N-Butyl-benzenesulfonamide	3622-84-2	50	NOAEL	oral	rats	224	10	10	10	1	3.50	3	Neg	Neg	N/A
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^{^b}		In Vitro^{^a}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^a}
2-Pentyl furan	3777-96-3	1200	LD₅₀	oral	mouse	225	10	10	10	10	8.40	3	Neg	Neg	N/A
2-Butyl-1-octanol	3913-02-8	13000	LD₅₀	oral	rats	226	10	10	10	10	91.0	1	Neg	Pos^{^c}	N/A
Isophorone diisocyanate	4098-71-9	4825	LD₅₀	oral	rats	227	10	10	10	10	33.8	3	Pos^{^d}	Neg	Neg1
Hexadecanoic acid, 2-hydroxyethyl ester	4219-49-2	3000	LD₅₀	i.p.	mouse	228	10	10	10	10	21.0	1	Neg	Neg	N/A
6-Chlorohexanoic acid	4224-62-8	3080	LD₅₀	oral	rats	229	10	10	10	10	21.6	3	Pos^{^e}	Neg	N/A
Mono-(2-ethylhexyl) phthalate	4376-20-9	150	LD₅₀	i.v.	rats	230	10	10	1	10	10.5	1	Neg	Pos^{^f}	Neg1
1,4-Dioxacyclotridecane-5,13-dione	4471-27-6	7940	LD_LO	dermal	rabbit	231	10	10	10	10	55.6	1	Neg	Neg	N/A
Pentaethylene glycol	4792-15-8	5000	LD₅₀	i.p.	rats	232	10	10	10	10	35.0	1	Neg	Neg	N/A
Cyclohexaneacetic acid	5292-21-7	178	LD₅₀	i.v.	mouse	233	10	10	1	10	12.5	1	Neg	Neg	N/A
1,1'-Carbonylbispiperdine	5395-04-0	500	LD_LO	i.p.	mouse	234	10	10	10	10	3.50	3	Neg	Neg	N/A
1,4-Dioxatetradecane-5,14-dione	5578-82-5	4750	LD₅₀	oral	mouse	235	10	10	10	10	33.3	1	Neg	Neg	N/A
Irganox 1010	6683-19-8	3160	LD₅₀	dermal	rabbit	236	10	10	10	10	22.1	2	Neg	Neg	N/A
Irganox 1010	6683-19-8	250	NOEL	oral	dogs	237	10	10	10	1	17.5	2	Neg	Neg	N/A
Terephthalic acid, diethylhexyl ester	6422-86-2	79	NOEL	oral	rats	238	10	10	10	1	5.53	1	Neg	Pos^{^c}	Neg1
3-(4-Hydroxyphenyl)-2-phenol	7400-08-0	50	TD_LO	oral	rats	239	10	10	10	10	0.35	1	Neg	Neg	N/A
2-Hydroxy-2-methylpropiophenone	7473-98-5	824	LD₅₀	i.p.	rats	240	10	10	10	10	5.77	3	Neg	Neg	N/A
Metasilicic acid	7699-41-4	234	LD_LO	i.v.	mouse	241	10	10	1	10	16.4	3	Neg	Neg	N/A
Trition X-100	9002-93-1	1200	LD₅₀	i.v.	mouse	242	10	10	1	10	84.0	2	Neg	Neg	Neg1
Polyvinylpyrrolidone	9003-39-8	1750	TD_LO	i.v.	rats	243	10	10	1	10	123	3	Neg	Neg	Neg1
Cellulose diacetate	9035-69-2	5000	NOEL	oral	rats	244	10	10	10	1	350	1	Neg	Neg	N/A
Silicic acid	10193-36-9	100	LD_LO	i.v.	rats	245	10	10	1	10	7.00	3	Neg	Neg	N/A
2-Cyanoacetic acid, 2-methoxyethyl ester	10258-54-5	4300	LD₅₀	oral	rats	246	10	10	10	10	30.1	3	Neg	Neg	N/A
2,6-Di-(t-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one	10396-80-2	1600	LD₅₀	i.p.	mouse	247	10	10	10	10	11.2	3	Pos^{^g}	Neg	N/A
1,6-Hexanediol diacrylate	13048-33-4	5000	LD₅₀	oral	rats	248	10	10	10	10	35.0	1	Neg	Neg	Neg1
1,6-Hexanediol diacrylate	13048-33-4	760	LD₅₀	i.p.	rats	249	10	10	10	10	5.32	1	Neg	Neg	Neg1
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^{^b}		In Vitro^{^a}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^a}
Trimethyolpropane triacrylate	15625-89-5	55	LD₅₀	i.p.	rats	250	10	10	10	10	0.385	1	Neg	Neg	Pos2
2-Heptenoic acid	18999-28-5	1600	LD₅₀	i.p.	mouse	251	10	10	10	10	11.2	1	Neg	Neg	N/A
3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzenepropanoic acid	20170-32-5	2730	TD_LO	oral	rats	252	10	10	10	10	19.1	2	Neg	Neg	N/A
5-(Decahydro-5,5,8-trimethyl-2-methylene-1-napthalenyl)-3-methyl-2-pentenoic acid	24470-48-2	517	TD_LO	dermal	mouse	253	10	10	10	10	3.62	1	N/A	N/A	N/A
Cis-9,10-epoxyoctadecanoic acid	24560-98-3	250	NOEL	oral	rats	254	10	10	10	1	17.5	3	Pos^{^d}	Neg	N/A
2,2-Dimethoxy-1,2-diphenyl ethanone	24650-42-8	120	TD_LO	oral	rats	255	10	10	10	10	0.84	3	Neg	Neg	N/A
Polyethylene terephthalate	25038-59-9	3200	LD₅₀	oral	rats	256	10	10	10	10	22.4	3	Neg	Neg	N/A
Benzene dicarboxylic acid, diisooctyl ester	27554-26-3	2769	LD₅₀	oral	mouse	257	10	10	10	10	19.4	1	Neg	Pos^{^c}	N/A
Benzene dicarboxylic acid, diisooctyl ester	27554-26-3	2200	LD₅₀	oral	rats	258	10	10	10	10	15.4	1	Neg	Pos^{^c}	N/A
Glyceryl monostearate	31566-31-1	200	LD₅₀	i.p.	mouse	259	10	10	10	10	1.40	1	Neg	Neg	N/A
Irgafos 168	31570-04-4	2000	LD₅₀	dermal	rats	260	10	10	10	10	14.0	3	Neg	Neg	N/A
Irgafos 168	31570-04-4	2000	LD₅₀	i.p.	rats	261	10	10	10	10	14.0	3	Neg	Neg	N/A
15-Crown-5	33100-27-5	514	LD₅₀	i.p.	mouse	262	10	10	10	10	3.60	3	Neg	Neg	Neg1
1-Hexadecanol	36653-82-4	1600	LD₅₀	i.p.	mouse	263	10	10	10	10	11.2	1	Neg	Neg	N/A
1-Hexadecanol	36653-82-4	1400	TD_LO	oral	dog	263	10	10	10	10	9.80	1	Neg	Neg	N/A
Tri(propylene glycol) diacrylate	42978-66-5	67	NOAEL	oral	rats	264	10	10	10	1	4.69	3	Neg	Neg	N/A
2,2,6,6-Tetramethypiperidinol	52722-86-8	2000	LD₅₀	oral	rats	265	10	10	10	10	14.0	3	Neg	Neg	N/A
25-Crown-5	56890-57-4	1.0	NOAEL	i.v.	rabbit	266	10	10	1	1	0.70	3	Neg	Neg	N/A
Dipropylene glycol diacrylate	57472-68-1	4600	LD₅₀	oral	rats	267	10	10	10	10	32.2	3	Neg	Neg	N/A
2-[1-4-Cyano-1,2,3,4-tetrahydronapthyl)]propanenitrile	57964-39-3	441	LD₅₀	oral	rats	268	10	10	10	10	3.09	3	Neg	Neg	N/A
3-[1-4-Cyano-1,2,3,4-tetrahydronapthyl)]propanenitrile	57964-40-6	441	LD₅₀	oral	rats	268	10	10	10	10	3.09	3	Neg	Neg	N/A
40-Crown-8	64001-04-3	2.4	NOEL	i.v.	rabbit	269	10	10	1	1	1.68	3	Neg	Neg	N/A
30-Crown-6	64001-05-4	0.5	NOEL	i.v.	rabbit	269	10	10	1	1	0.35	3	Neg	Neg	N/A
Tinuvin 622	65447-77-0	2000	LD₅₀	oral	rats	276	10	10	10	10	14.0	3	Neg	Neg	N/A
Compound	CAS Registry No.	Toxicological Information					Toxicological Uncertainty Factors (UFs)				Risk Index (RI), mg/day	Cramer Class	Carcinogenicity Alerts
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			In Silico^{^b}		In Vitro^{^a}
		Value, mg/kg	Type	Route	Model	Ref.	T1, Inter-species	T2, Intra-species	T3, Route	T4, Type			A	B	In Vitro^{^a}
35-Crown-7	66055-34-3	0.5	NOEL	i.v.	rabbit	269	10	10	1	1	0.35	3	Neg	Neg	N/A
Nonylphenol-PEGylated	68412-54-4	3000	LD₅₀	oral	rats	270	10	10	10	10	21	2	Neg	Neg	N/A
Alkylphenone	71868-10-5	1800	LD₅₀	oral	rats	271	10	10	10	10	12.6	3	Neg	Neg	N/A
Diphenyl-(2,4,6-trimethylbenzoly) phosphine oxide	75980-60-8	300	TD_LO	oral	rats	272	10	10	10	10	2.10	3	Neg	Neg	N/A
Tridecanol/Decanylphenol-PEGylated	78330-21-9	1350	LD₅₀	oral	rats	273	10	10	10	10	9.45	3	Neg	Neg	N/A
Atmer 163	107043-84-5	500	TD_LO	oral	rats	274	10	10	10	10	3.50	1	N/A	N/A	N/A
Polycup 1884	129807-53-0	2000	LD₅₀	oral	rats	275	10	10	10	10	14.0	3	N/A	N/A	N/A
1-Propene-1,2,3-tricarboxylic acid, tributyl ester	343599-72-4	500	LD₅₀	i.p.	mouse	277	10	10	10	10	3.50	1	Neg	Neg	N/A

↵a No genotoxocity indicated based on studies in rats, obtained from the Carcinogenic Potency Database (CPDB, 287).
↵b No genotoxicity indicated based on studies in rats and mice, obtained from CPDB (287).
↵c TD₅₀ = 153 mg/kg/day in rats, 565 mg/kg/day in hamster.
↵d From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵e From Toxtree (3, 285) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
↵f QSA11 rule triggered, simple aldehyde.
↵g QSA31a rule triggered, halogenated benzene.
h QSA41 rule triggered, substituted n-alkylcarboxylic acids.
↵a No genotoxocity indicated based on studies in rats, obtained from the CPDB (287).
↵b No genotoxicity indicated based on studies in rats and mice, obtained from the CPDB (287).
↵c TD₅₀ = 38.3 mg/kg/day in mice.
↵d TD₅₀ = 1040 mg/kg/day in rats, no effect reported in mice.
↵e TD₅₀ = 3960 mg/kg/day in rats.
↵f TD₅₀ = 232 mg/kg/day in rats, no effect reported in mice.
↵g TD₅₀ = 4350 mg/kg/day in rats.
↵h From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵i From Toxtree (3, 286) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
↵j QSA8 rule triggered, Aliphatic halogens.
↵k QSA47 rule triggered, o-phenyl phenol.
↵l QSA42 rule triggered, phthalate diesters and monoesters.
↵m QSA41 rule triggered, substituted n-alkyl carboxylic acid.
a No genotoxocity indicated based on studies in either rats, mice or hamsters, obtained from the CPDB (287).
↵b No genotoxicity indicated based on studies in rats and mice, obtained from the CPDB (287).
↵c TD₅₀ = 73 mg/kg/day in rats, 1600 mg/kg/day in mice.
↵d TD₅₀ = 23 mg/kg/day in rats, 210 mg/kg/day in mice.
↵e TD₅₀ = 1490 mg/kg/day in mice, no effect reported in rats.
↵f TD₅₀ = 3880 mg/kg/day in mice, no effect reported in rats.
↵g TD₅₀ = 1680 mg/kg/day in mice, no effect reported rats.
↵h From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵i From Toxtree (3, 285) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
↵j QSA11 rule triggered, simple aldehyde.
↵k Potential S. triphimurium TA 100 mutagen; QAA 15 and QSA 27 rules triggered, isocyanate and isothiocyanate groups, primary aromatic amine, hydroxyl amine and its derived esters.
↵l QSA41 rule triggered, substituted n-alkyl carboxylic acid.
a No genotoxocity indicated based on studies in either rats, mice or hamsters, obtained from the CPDB (286).
↵b No genotoxicity indicated based on studies in rats and mice, obtained from the CPDB (286).
↵c TD₅₀ = 17 mg/kg/day in rats, 6.3 mg/kg/day in mice.
d TD₅₀ = 3060 mg/kg/day in rats, no effect reported in mice.
↵e TD₅₀ = 407 mg/kg/day in rats, 1300 mg/kg/day in mice.
↵f From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵g From Toxtree (3, 285) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
↵h QSA11 rule triggered, simple aldehyde.
↵i QSA10 rule triggered, α, β-unsaturated carbonyls.
↵j TD₅₀ = 67 mg/kg/day in rats, 24 mg/kg/day in mice.
a No genotoxocity indicated based on studies in either rats, mice or hamsters, obtained from the CPDB (286).
↵b No genotoxicity indicated based on studies in rats and mice, obtained from the CPDB (286).
↵d TD₅₀ = 1660 mg/kg/day in rats, no effect reported in mice.
↵e TD₅₀ = 1710 mg/kg/day in mice, 1300 mg/kg/day in rats.
↵f From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵g From Toxtree (3, 285) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
↵h QSA11 rule triggered, simple aldehyde.
a No genotoxocity indicated based on studies in either rats, mice or hamsters, obtained from Carcinogenic Potency Database (286).
↵b No genotoxicity indicated based on studies in rats and mice, obtained from Carcinogenic Potency Database (286).
↵c TD₅₀ = 716 mg/kg/day in rats, 700 mg/kg/day in mice.
↵d From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵e From Toxtree (3, 285) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
↵f QSA11 rule triggered, simple aldehyde.
↵g QSA41 and QSA42 rules triggered, substituted n-alkylcarbonic acid, phthalate diesters and monoesters.
↵h QSA42 rule triggered, phthalate diesters and monoesters.
a No genotoxocity indicated based on studies in either rats, mice or hamsters, obtained from Carcinogenic Potency Database (286).
b No genotoxicity indicated based on studies in rats and mice, obtained from Carcinogenic Potency Database (286).
↵c TD₅₀ = 190 mg/kg/day in rats, 1120 mg/kg/day in mice.
↵d TD₅₀ = 653 mg/kg/day in mice, no effect reported in rats.
e TD₅₀ = 344 mg/kg/day in rats, no effect reported in mice.
f From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵g From Toxtree (3, 285) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
h QSA11 rule triggered, simple aldehyde.
↵i QSA2 rule triggered, alkyl (C5) or benzene ester of sulphonic or phosphoric acid.
↵j QSA42 rule triggered, phthalate diesters and monoesters.
↵k QSA41 rule triggered, substituted or alkylcarboxylic acids.
↵l TD₅₀ =650 mg/kg/day in rats, not tested in mice.
a No genotoxocity indicated based on studies in either rats, mice or hamsters, obtained from Carcinogenic Potency Database (286).
↵b No genotoxicity indicated based on studies in rats and mice, obtained from Carcinogenic Potency Database (286).
↵c QSA12 rule triggered, Quinones.
d TD₅₀ = 2050 mg/kg/day in mice, no effect reported in rats.
↵e From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵f From Toxtree (3, 285) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
↵g QSA7 rule triggered, epoxides and aziridines.
↵h QSA8 rule triggered, aliphatic halogens.
↵i QSA11 rule triggered, simple aldehydes.
↵j QSA42 rule triggered, phthalate diesters and monoesters.
↵a From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵b From Toxtree (3, 285) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
c QSA12 rule triggered, quinines.
↵d QSA10 rule triggered, β-saturated carbonyls.
↵e QSA11 rule triggered, simple aldehydes.
↵f QSA42 triggered, phthalate diesters and monoesters.
↵g ASA7 rule triggered, epoxides and aziridines.
↵h QSA41 and QSA 42 rules triggered, substituted n-alkylcarbonic acid, phthalate diesters and monoesters.
↵i QSA17 rule triggered, thiocarbonyl.
↵a From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵b From Toxtree (3, 285) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
↵c QSA41 rule triggered, substituted n-alkylcarboxylic acids.
↵d QSA15 rule triggered, isocynate and isothiocyanate groups.
↵e QSA8 rule triggered, aliphatic halogens.
↵f QSA41 and QSA42 rules triggered, substituted n-alkylcarbonic acid, phthalate diesters and monoesters.
↵g QSA10 rule triggered, α, β-unsaturated carbonyls.
↵a From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵b From Toxtree (3, 286) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.
↵c QSA42 rule triggered, phthalate diesters and monoesters.
↵d QSA7 rule triggered, epoxides and aziridines.
↵a From CCRIS database (287). Neg1 = negative Ames Salmonella typimurium test. Neg2 = negative Ames and Mouse Lymphoma tests. Pos1 = positive Ames or Mouse Lymphoma test. Pos2 = positive Ames and Mouse Lymphoma test. N/A = No test data available for that compound.
↵b From Toxtree (3, 285) using Benigni/Biossa rulebase. A = considering genotoxic effects, B = considering non-genotoxic effects.