| Present in Toxcast | AC50 (uM) | |||||
---|---|---|---|---|---|---|---|
Compound | CAS nr | Present in sample type | AHR | OS (NFE2L2) | AR | ER (ESR1) | |
Flame retardants | |||||||
 Bis(1-chloro-2-propyl)-3-(3-chloropropoxy)propylphosphate | 137,888–37-0 | ENV-1, ENV-3 | no |  | |||
 Bis(3-chloro-1-propyl)(1-chloro-2-propyl)phosphate | 137,888–35-8 | ENV-1, ENV-3 | yes | n.d. | n.d. | n.d. | n.d. |
 Hexabromocyclododecane | 25,637–99-4 | ENV-1, ENV-3 | yes | n.d. | n.d. | n.d. | n.d. |
 Pentabromocyclododecane | 26,657–83-0 | ENV-1, ENV-3 | yes | n.d. | n.d. | n.d. | n.d. |
 Triethylphosphate | 78–40-0 | ENV-1, | yes | n.d. | n.a. | n.a. | 90.5 |
 Triisobutylphosphate | 126–71-6 | ENV-1, ENV-3, PA, PVC | yes | 78.9 | n.a. | n.a. | 43.8 |
 Tri-m-tolylphosphate | 563–04-2 | ENV-1, | yes | n.a. | 18.2 | n.a. | 57.1 |
 Tri-o-tolylphosphate | 78–30-8 | ENV-1, ENV-3,PS | yes | 285 | 13.8 | 23.7 | 1.82 |
 Triphenylphosphate | 115–86-6 | ENV-1, ENV-3 | yes | n.d. | 18.4 | 25.3 | 7.31 |
 Tri-p-tolylphosphate | 78–32-0 | ENV-1, ENV-3 | yes | n.d. | n.d. | n.d. | n.d. |
 Tris(1-chloro-2-propyl)phosphate | 13,674–84-5 | ENV-1, ENV-3, PA, PE, PP-1, PP-2, PS, PVC | yes | n.d. | n.d. | n.a. | n.a. |
 Tris(2-chloroethyl)phosphate | 115–96-8 | ENV-1, ENV-3 | yes | n.d. | n.d. | n.a. | n.a. |
 Tris(2-chloropropyl)phosphate | 6145-73-9 | ENV-1, ENV-3,PA, PE, PP-1, PP-2, PVC | yes | n.a. | n.a. | n.a. | n.a. |
Plasticiser | |||||||
 1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester | 6422-86-2 | ENV-1, ENV-3 | yes | 68.9 | n.d. | n.a. | n.a. |
 Bis(2-ethylhexyl) phthalate | 117–81-7 | ENV-1, ENV-3, PA, PE, PET, PP-1, PP-2, PS, PVC | yes | n.d. | n.d. | 52.1 | 59.5 |
 Dibutyl phthalate | 84–74-2 | ENV-1, ENV-3, PA, PP-1, PP-2, PVC | yes | n.d. | 50.9 | 58 | 32.8 |
 Diisooctyl adipate | 1330–86-5 | ENV-1, | yes | n.d. | n.d. | 3.38 | n.d. |
 Diisooctyl phthalate | 27,554–26-3 | ENV-1, ENV-3 | yes | n.d. | n.d. | n.d. | n.d. |
 Phthalic acid, 2-ethylbutyl nonyl ester | n.a. | ENV-3, | no | ||||
 Phthalic acid, 6-methylhept-2-yl nonyl ester | n.a. | ENV-1, | no | ||||
 Phthalic acid, di(2-propylpentyl) ester | 70,910–37-1 | PA, PET, PP-1, PP-2, PVC | yes | n.d. | n.d. | n.d. | n.d. |
 Phthalic acid, di (oct-3-yl) ester | n.a. | ENV-3, PE | no |  |  |  |  |
 Phthalic acid, hept-3-yl nonyl ester/phthalic acide hexyl nonyl ester | 88,216–56-2 | ENV-1, ENV-3 | yes | n.d. | n.d. | n.d. | n.d. |
 Phthalic acid, hept-4-yl isobutyl ester | n.a. | PA, PVC | no |  | |||
 Phthalic acid, nonyl 2-propylpentyl ester/ phthalic dinonyl ester | 84–76-4 | ENV-1, ENV-3 | yes | n.d. | n.d. | 3.4 | n.d. |
 2-Ethylhexyl methyl isophthalate | 2,135,327–80-7 | ENV-1, | yes | n.d. | n.d. | n.d. | n.d. |
 Tributyl acetylcitrate | 693–71-0 | PET | yes | n.d. | n.d. | n.d. | n.d. |
Monomers and other compounds | |||||||
 (Z)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate | 84,060–80-0 | ENV-1, | no |  | |||
 1,15-Pentadecanediol | 14,722–40-8 | PE | yes | n.d. | n.d. | n.d. | n.d. |
 1,8-Diazacyclotetradecane-2,9-dione (=nylon-6 cyclic oligomer) | 56,403–09-9 | PA | yes | n.d. | n.d. | n.d. | n.d. |
 1H-Imidazole | 288–32-4 | ENV-1 | yes | n.d. | n.d. | n.d. | n.d. |
 2,4-Di-tert-butylphenol | 96–76-4 | ENV-1, ENV-3 | yes | n.d. | 36.9 | 12.4 | 41 |
 2-Ethyl-1-hexanol | 104–76-7 | ENV-1, | yes | n.d. | n.d. | n.d. | n.d. |
 3-(Benzoylthio)-2-methylpropanoic acid | 74,431–50-8 | ENV-3, | no | ||||
 3,3-Dimethylheptanoic acid | 67,061–30-7 | PVC | no | ||||
 3,5-di-tert-Butyl-4-hydroxybenzaldehyde | 1620-98-0 | ENV-1, | yes | n.d. | n.d. | n.d. | n.d. |
 3-tert-Butyl-4-hydroxyanisole | 121–00-6 | PVC | yes | n.d. | 42.4 | 13.1 | 2.46 |
 Alkylated benzenes | n.a. | PS | no |  |  |  |  |
 Benzaldehyde | 100–52-7 | PS | yes | n.d. | n.d. | n.d. | n.d. |
 Benzene, 1-(chloromethyl)-2-methyl | 552–45-4 | PVC | yes | n.d. | n.d. | n.d. | n.d. |
 Benzene, 1,3-bis(1,1-dimethylethyl)- | 1014-60-4 | ENV-1, ENV-3 | yes | n.d. | n.d. | n.d. | n.d. |
 Benzoic acid, octyl ester | 94–50-8 | PVC | yes | n.d. | n.d. | n.d. | n.d. |
 Borane, diethyl (decyloxy) | 25,015–63-8 | PP-1 | yes | n.d. | n.d. | n.d. | n.d. |
 Butanedioic acid, dimethyl ester | 106–65-0 | PVC | yes | 1.49 | n.d. | n.d. | n.d. |
 Butylated Hydroxytoluene | 128–37-0 | ENV-1, ENV-3 | yes | n.d. | 49.2 | 0.112 | 21 |
 Caprolactam (=nylon-6 monomer) | 105–60-2 | PA | yes | n.d. | n.d. | 68 | 30.8 |
 Hexanedioic acid, bis(2-ethylhexyl) ester | 103–23-1 | PVC | yes | n.d. | n.d. | 93 | 10.9 |
 Hexanedioic acid, bis(2-methylpropyl) ester | 141–04-8 | ENV-3, | yes | n.d. | n.d. | n.d. | 8.25 |
 Hexanedioic acid, dimethyl ester | 627–93-0 | PVC | yes | n.d. | 60.6 | n.d. | n.d. |
 Linoelaidic acid | 506–21-8 | ENV-1, | yes | n.d. | n.d. | n.d. | n.d. |
 n-Hexadecanoic acid | 57–10-3 | PP-1, PP-2 | yes | n.d. | n.d. | n.d. | 7.46 |
 Octadecane, 1-isocyanato- | 112–96-9 | PA | yes | n.d. | n.d. | n.d. | n.d. |
 Octadecanoic acid | 57–11-4 | PP-1, PP-2 | yes | n.d. | n.d. | 12.1 | 2.3 |
 Octanal, 2-(phenylmethylene)- | 101–86-0 | ENV-1, | yes | 56.6 | 30.9 | 2.97 | 35.5 |
 Oxalic acid, allyl butyl ester | 91,915–04-7 | PVC | yes | n.d. | n.d. | n.d. | n.d. |
 Pentanedioic acid, dimethyl ester | 1119-40-0 | PVC | yes | n.d. | n.d. | n.d. | n.d. |
 Styrene | 100–42-5 | PS | yes | n.d. | n.d. | n.d. | n.d. |
 Tetrazolo[1,5-b]1,2,4-triazine, 5,6,7,8-tetrahydro-6,7-dimethyl- | 384,814–90-8 | PA | no | ||||
Environmental contaminants | |||||||
 Acenaphtene | 83–32-9 | ENV-1, ENV-3 | yes | n.d. | n.d. | n.d. | 24.9 |
 Acenaphtylene | 208–96-8 | ENV-1, | yes | 91.5 | n.d. | n.d. | n.d. |
 Antracene | 120–12-7 | ENV-1, PP-1, PP-2 | yes | n.d. | n.d. | 22.3 | 24.1 |
 Benz [a]anthracene | 56–55-3 | ENV-1, ENV-3 | yes | n.d. | 1.17 | 5.77 | 1.45 |
 Chrysene | 218–01-9 | ENV-1, ENV-3 | yes | 7.86 | 28.2 | n.d. | n.d. |
 Fluoranthene | 206–44-0 | ENV-1, ENV-3 | yes | 67 | n.d. | 5.83 | 46.2 |
 Fluorene | 86–73-7 | ENV-1, ENV-3, PE | yes | n.d. | 70.1 | 18.1 | 0.436 |
 Naphtalene | 91–20-3 | ENV-1, ENV-3, PP-1, PP-2, PVC | yes | n.d. | n.d. | n.d. | 0.655 |
 Phenanthrene | 85–01-8 | ENV-1, ENV-3,PP-1, PP-2 | yes | n.d. | 20.7 | 0.002 | n.d. |
 Pyrene | 129–00-0 | ENV-1, ENV-3 | yes | n.d. | 3.32 | n.d. | n.d. |