Table 5B.
Identification of Irritant Chemicals.
| # | Chemical Name | CASRN | in vivo EPA | BCOP (LLBO) | BCOP (OP-KIT) | EPI | ICE | OI | OS | STE | Number of tests | FN | TP | % |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 54 | 1-Octanol | 111-87-5 | II | TP | TP | TP | TP | TP | TP | TP | 7 | 0 | 7 | 100% |
| 49 | n-Hexanol | 111-27-3 | II | TP | TP | TP | TP | TP | TP | TP | 7 | 0 | 7 | 100% |
| 44 | Pyridine | 110-86-1 | I | TP | TP | TP | TP | TP | TP | 6 | 0 | 6 | 100% | |
| 31 | Cyclohexanol | 108-93-0 | I | TP | TP | TP | TP | TP | TP | 6 | 0 | 6 | 100% | |
| 14 | 2-Ethyl-1-hexanol | 104-76-7 | II | TP | TP | TP | TP | TP | TP | 6 | 0 | 6 | 100% | |
| 227 | Ethyl-2-methyl acetoacetate | 609-14-3 | III | TP | TP | TP | TP | TP | TP | 6 | 0 | 6 | 100% | |
| 263 | Acetone | 67-64-1 | II | TP | TP | TP | TP | TP | TP | 6 | 0 | 6 | 100% | |
| 118 | Dibenzyl phosphate | 1623-08-1 | II | TP | TP | TP | TP | TP | TP | 6 | 0 | 6 | 100% | |
| 354 | Cyclopentanol | 96-41-3 | II | TP | TP | TP | TP | TP | TP | 6 | 0 | 6 | 100% | |
| 103 | Lauric Acid | 143-07-7 | I | TP | TP | TP | TP | TP | TP | 6 | 0 | 6 | 100% | |
| 16 | 2-Methyl-1-pentanol | 105-30-6 | III | TP | TP | TP | TP | TP | TP | 6 | 0 | 6 | 100% | |
| 189 | Sodium benzoate | 532-32-1 | II | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 249 | Benzalkonium chloride (5%) | 63449-41-2/8001-54-5 | I | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 156 | Imidazole | 288-32-4 | I | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 361 | p-Tert-butylphenol | 98-54-4 | I | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 301 | Isobutyraldehyde | 78-84-2 | III | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 79 | Sodium hydroxide (10%) | 1310-73-2 | I | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 110 | Sodium lauryl sulfate (15%) | 151-21-3 | I | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 247 | Benzalkonium chloride (10%) | 63449-41-2/8001-54-5 | I | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 241 | Sodium oxalate | 62-76-0 | I | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 355 | gamma-Butyrolactone | 96-48-0 | II | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 183 | Lactic Acid | 50-21-5 | I | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 75 | n-Butanal | 123-72-8 | III | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 195 | Isopropyl acetoacetate | 542-08-5 | III | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 211 | Promethazine hydrochloride | 58-33-3 | I | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 300 | Isobutanol | 78-83-1 | II | TP | TP | TP | TP | TP | 5 | 0 | 5 | 100% | ||
| 15 | Sodium perborate tetrahydrate | 10486-00-7 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 72 | 2–Benzyl–4–chlorophenol | 120-32-1 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 228 | 1–Naphthalene acetic acid Na salt | 61-31-4 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 84 | Captan 90–concentrate | 133-06-2 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 138 | Methyl thioglycolate | 2365-48-2 | II | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 197 | 3-Chloropropionitrile | 542-76-7 | III | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 56 | 3,3’–Dithiopropionic acid | 1119-62-6 | II | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 154 | Dibenzoyl–L–tartaric acid | 2743-38-6 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 359 | Benzensulphonylchloride | 98-09-9 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 286 | Trichloroacetic acid (30%) | 76-03-9 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 200 | Chlorhexidine | 55-56-1 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 94 | Cetylpyridinium bromide (6%) | 140-72-7 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 81 | Sodium hydroxide (1%) | 1310-73-2 | III | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 328 | Triton X-100 (5%) | 9002-93-1 | III | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 28 | m–Phenylene diamine | 108-45-2 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 191 | Domiphen bromide (10%) | 538-71-6 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 1 | Diethylethanolamine | 100-37-8 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 35 | Tetrahydrofuran | 109-99-9 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 53 | n–Octylamine | 111-86-4 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 78 | Ethylhexyl acid phosphate ester | 12645-31-7 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 312 | 2–Hydroxy iso–butyric acid ethyl ester | 80-55-7 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 343 | (3–Aminopropyl)triethoxy silane | 919-30-2 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 205 | Cetyltrimethylammonium bromide (10%) | 57-09-0 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 23 | Distearyldimethylammonium chloride | 107-64-2 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 295 | 2–Propanol, 1–phenoxy– | 770-35-4 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 162 | Methoxyethyl acrylate | 3121-61-7 | III | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 303 | Glycolic acid (10%) | 79-14-1 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 137 | 1-Chloroctan-8-ol | 23144-52-7 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 202 | Tributyltin oxide | 56-35-9 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 57 | Hexadecyltrimethylammonium chloride (25%) | 112-02-7 | TP | TP | TP | TP | 4 | 0 | 4 | 100% | ||||
| 302 | Methyl ethyl ketone | 78-93-3 | III | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 93 | Cetylpyridinium bromide (10%) | 140-72-7 | I | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 278 | n-Butanol | 71-36-3 | II | TP | TP | TP | TP | 4 | 0 | 4 | 100% | |||
| 50 | n–Acetyl–DL–methionine | 1115-47-5 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 347 | N–(2–Methylphenyl)–iminodicarbonimidic diamide (1–(o–Tolyl)biguanide) | 93-69-6 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 142 | bis–(3–Aminopropyl)-tetramethyldisiloxane | 2469-55-8 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 88 | Triethanolamine orthovanadate | 13476-99-8 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 165 | alpha–Ketoglutaric acid | 328-50-7 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 219 | 2–Hydroxy iso–butyric acid | 594-61-6 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 161 | Paraformaldehyde | 30525-89-4 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 149 | 1,2-Benzisothiazol-3(2H)-one | 2634-33-5 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 177 | 4,4’-(4,5,6,7-Tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromophenol] S,S-dioxide | 4430-25-5 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 258 | Benzoic acid | 65-85-0 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 319 | 2-Hydroxy-1,4-naphthoquinone | 83-72-7 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 237 | 4-Nitrobenzoic acid | 62-23-7 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 87 | n,n-Diethyl-m-toluamide | 134-62-3 | III | TP | TP | TP | 3 | 0 | 3 | 100% | ||||
| 127 | Chlorhexidine digluconate solution (20% aqueous) | 18472-51-0 | II | TP | TP | TP | 3 | 0 | 3 | 100% | ||||
| 170 | Parafluoraniline | 371-40-4 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 248 | Benzalkonium chloride (100%) | 63449-41-2/8001-54-5 | I | TP | TP | TP | 3 | 0 | 3 | 100% | ||||
| 206 | Cetyltrimethylammonium bromide | 57-09-0 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 250 | Benzalkonium chloride (1%) | 63449-41-2/8001-54-5 | I | TP | TP | TP | 3 | 0 | 3 | 100% | ||||
| 329 | Triton X-100 (10%) | 9002-93-1 | II | TP | TP | TP | 3 | 0 | 3 | 100% | ||||
| 213 | Potassium cyanate | 590-28-3 | TP | TP | TP | 3 | 0 | 3 | 100% | |||||
| 255 | Acetic Acid (10%) | 64-19-7 | I | TP | TP | TP | 3 | 0 | 3 | 100% | ||||
| 108 | Tetraoctylammonium bromide | 14866-33-2 | I | TP | TP | 2 | 0 | 2 | 100% | |||||
| 323 | 1-Naphthalene acetic acid | 86-87-3 | TP | TP | 2 | 0 | 2 | 100% | ||||||
| 51 | Butyl cellosolve | 111-76-2 | II | TP | TP | 2 | 0 | 2 | 100% | |||||
| 21 | Allyl alcohol | 107-18-6 | III | TP | TP | 2 | 0 | 2 | 100% | |||||
| 73 | Benzethonium chloride | 121-54-0 | I | TP | TP | 2 | 0 | 2 | 100% | |||||
| 160 | Sodium deoxycholate (10%) | 302-95-4 | II | TP | TP | 2 | 0 | 2 | 100% | |||||
| 220 | 2,2-Dimethylbutanoic acid | 595-37-9 | I | TP | TP | 2 | 0 | 2 | 100% | |||||
| 3 | Benzyl alcohol | 100-51-6 | I | TP | TP | 2 | 0 | 2 | 100% | |||||
| 109 | Sodium lauryl sulfate | 151-21-3 | III | TP | TP | 2 | 0 | 2 | 100% | |||||
| 208 | Butanedioic acid, sulfo-, 1, 4-bis(2-ethylhexyl) ester, sodium salt | 577-11-7 | I | TP | TP | 2 | 0 | 2 | 100% | |||||
| 304 | Glycolic acid | 79-14-1 | I | TP | TP | 2 | 0 | 2 | 100% | |||||
| 125 | (Ethylenediamine propyl)trimethoxysilane | 1760-24-3 | TP | TP | 2 | 0 | 2 | 100% | ||||||
| 256 | Ammonium nitrate | 6484-52-2 | III | TP | TP | TP | TP | TP | TP | FN | 7 | 1 | 6 | 86% |
| 262 | Isopropanol | 67-63-0 | III | TP | TP | TP | TP | TP | TP | FN | 7 | 1 | 6 | 86% |
| 305 | Methyl acetate | 79-20-9 | II | TP | TP | TP | TP | TP | TP | FN | 7 | 1 | 6 | 86% |
| 115 | 1-Propoxy-2-propanol (Propasol solvent P) | 1569-01-3 | II | TP | TP | TP | TP | TP | FN | 6 | 1 | 5 | 83% | |
| 173 | Sodium chloroacetate | 3926-62-3 | III | TP | FN | TP | TP | TP | TP | 6 | 1 | 5 | 83% | |
| 317 | 1,5–Naphthalenediol | 83-56-7 | II | TP | TP | TP | FN | TP | 5 | 1 | 4 | 80% | ||
| 37 | 2,5-Dimethyl-2,5-hexanediol | 110-03-2 | I | TP | TP | TP | TP | FN | 5 | 1 | 4 | 80% | ||
| 253 | Ethanol | 64-17-5 | I | TP | TP | TP | TP | FN | 5 | 1 | 4 | 80% | ||
| 234 | 4–Carboxybenzaldehyde | 619-66-9 | II | TP | TP | TP | FN | 4 | 1 | 3 | 75% | |||
| 314 | Hydroxyethyl acrylate | 818-61-1 | TP | TP | TP | FN | 4 | 1 | 3 | 75% | ||||
| 196 | Sodium salicylate | 54-21-7 | I | TP | TP | TP | FN | 4 | 1 | 3 | 75% | |||
| 158 | 1-(1-Methyl-2-propoxyethoxy)propan-2-ol | 29911-27-1 | III | TP | TP | TP | FN | 4 | 1 | 3 | 75% | |||
| 179 | 2,6-Dichlorobenzoyl chloride | 4659-45-4 | II | TP | FN | TP | TP | TP | FN | 6 | 2 | 4 | 67% | |
| 123 | 2-Amino-3-pyridinol | 16867-03-1 | III | TP | FN | TP | 3 | 1 | 2 | 67% | ||||
| 363 | m–Dinitrobenzene | 99-65-0 | TP | FN | TP | 3 | 1 | 2 | 67% | |||||
| 356 | Ethyl 2,6-dichloro-5-fluoro-beta-oxo-3-pyridine propionate | 96568-04-6 | FN | TP | TP | 3 | 1 | 2 | 67% | |||||
| 126 | Tetraethylene glycol diacrylate | 17831-71-9 | I | TP | FN | TP | 3 | 1 | 2 | 67% | ||||
| 17 | Methyl cyanoacetate | 105-34-0 | II | TP | TP | FN | FN | TP | TP | FN | 7 | 3 | 4 | 57% |
| 307 | Camphene | 79-92-5 | III | FN | FN | TP | TP | TP | FN | 6 | 3 | 3 | 50% | |
| 91 | 4–(1,1,3,3–Tetramethylbutyl)phenol | 140-66-9 | FN | FN | TP | TP | 4 | 2 | 2 | 50% | ||||
| 274 | Quinacrine | 69-05-6 | I | FN | FN | TP | TP | 4 | 2 | 2 | 50% | |||
| 98 | 2–Pseudoionone | 141-10-6 | TP | FN | FN | TP | 4 | 2 | 2 | 50% | ||||
| 291 | N-Lauroylsarcosine, sodium salt (10%) | 7631-98-3/137-16-6 | III | TP | FN | 2 | 1 | 1 | 50% | |||||
| 62 | Myristyl alcohol | 112-72-1 | III | TP | FN | 2 | 1 | 1 | 50% | |||||
| 77 | Maneb | 12427-38-2 | III | FN | TP | 2 | 1 | 1 | 50% | |||||
| 277 | L-Aspartic acid | 70-47-3 | FN | FN | TP | 3 | 2 | 1 | 33% | |||||
| 293 | (2R,3R)-3-((R)-1-(tert-butyldimethylsiloxy)ethyl)-4-oxoazetidin-2-yl acetate | 76855-69-1 | FN | FN | TP | 3 | 2 | 1 | 33% |
Table 5B. Identification of nonclassified chemicals. # is the chemical number taken from Supplemental Table 2 (which provides additional information on each chemical and, for ease of use, is organized by ascending CAS Registry Number). In vivo EPA classifications from I to IV. BCOP = Bovine Corneal Opacity and Permeability; LLBO = Laser Light-Based Opacitometer; ICE = Isolated Chicken Eye; OI = Ocular Irritection; OS = OptiSafe; STE = Short Time Exposure; TP = True Positive; FN = False Negative; % is the number of FNs divided by the total tests performed on each chemical.