Table 5A.
Identification of Non-Classified Chemicals.
| # | Chemical Name | CASRN | in vivo EPA | BCOP (LLBO) | BCOP (OP-KIT) | EPI | ICE | OI | OS | STE | Number of tests | TN | FP | % |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 41 | n-Hexane | 110-54-3 | IV | TN | TN | TN | TN | TN | TN | 6 | 6 | 0 | 100% | |
| 97 | Potassium tetrafluoroborate | 14075-53-7 | IV | TN | TN | TN | TN | TN | 5 | 5 | 0 | 100% | ||
| 246 | Dioctyl ether | 629-82-3 | IV | TN | TN | TN | TN | TN | 5 | 5 | 0 | 100% | ||
| 52 | 1-Bromo-octane | 111-83-1 | IV | TN | TN | TN | TN | TN | 5 | 5 | 0 | 100% | ||
| 207 | Propylene glycol | 57-55-6 | IV | TN | TN | TN | TN | TN | 5 | 5 | 0 | 100% | ||
| 48 | 1-Bromohexane | 111-25-1 | IV | TN | TN | TN | TN | 4 | 4 | 0 | 100% | |||
| 89 | sec-Butylbenzene | 135-98-8 | IV | TN | TN | TN | TN | 4 | 4 | 0 | 100% | |||
| 245 | Dipropyl disulphide | 629-19-6 | IV | TN | TN | TN | TN | 4 | 4 | 0 | 100% | |||
| 292 | 2-Ethylhexyl thioglycolate | 7659-86-1 | IV | TN | TN | TN | TN | 4 | 4 | 0 | 100% | |||
| 238 | 3-Methoxy-1,2-propanediol | 623-39-2 | IV | TN | TN | TN | TN | 4 | 4 | 0 | 100% | |||
| 336 | Tween 80 | 9005-65-6 | IV | TN | TN | TN | TN | 4 | 4 | 0 | 100% | |||
| 133 | 2-Ethylhexyl p–dimethylamino benzoate | 21245-02-3 | IV | TN | TN | TN | TN | 4 | 4 | 0 | 100% | |||
| 167 | 1-Ethyl-3-methylimidazolium ethyl sulphate | 342573-75-5 | TN | TN | TN | 3 | 3 | 0 | 100% | |||||
| 143 | EDTA, di-potassium salt | 25102-12-9 | TN | TN | TN | 3 | 3 | 0 | 100% | |||||
| 309 | Petroleum ether | 8032-32-4 | III | TN | TN | TN | 3 | 3 | 0 | 100% | ||||
| 326 | BRIJ-35 | 9002-92-0 | III | TN | TN | 2 | 2 | 0 | 100% | |||||
| 5 | Triclocarban | 101-20-2 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 67 | 4,4’-Methylene bis-(2,6-di-tert-butylphenol) | 118-82-1 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 216 | 1,5-Hexadiene | 592-42-7 | III | TN | TN | 2 | 2 | 0 | 100% | |||||
| 122 | Dicaprylyl carbonate | 1680-31-5 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 164 | Myristyl myristate | 3234-85-3 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 230 | Polyethylene glycol (PEG-40) hydrogenated castor oil | 61788-85-0 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 251 | Polyglyceryl-3 diisooctadecanoate | 63705-03-3 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 324 | 2-Propylheptyl octanoate | 868839-23-0 | III | TN | TN | 2 | 2 | 0 | 100% | |||||
| 201 | 3,3-Dimethylpentane | 562-49-2 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 70 | Anthracene | 120-12-7 | TN | TN | 2 | 2 | 0 | 100% | ||||||
| 7 | Hexyl cinnamic aldehyde | 101-86-0 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 29 | Diisobutyl ketone | 108-83-8 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 38 | Isopropyl myristate | 110-27-0 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 47 | 1,5-Dibromopentane | 111-24-0 | III | TN | TN | 2 | 2 | 0 | 100% | |||||
| 83 | Xylene | 1330-20-7 | II | TN | TN | 2 | 2 | 0 | 100% | |||||
| 157 | iso-Octyl acrylate | 29590-42-9 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 194 | Cyclopentasiloxane | 541-02-6 | TN | TN | 2 | 2 | 0 | 100% | ||||||
| 243 | 1,6-Dibromohexane | 629-03-8 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 285 | Isopropyl bromide | 75-26-3 | IV | TN | TN | 2 | 2 | 0 | 100% | |||||
| 204 | Glycerol | 56-81-5 | IV | TN | TN | TN | FP | TN | TN | TN | 7 | 6 | 1 | 86% |
| 147 | Polyethylene glycol 400 | 25322-68-3 | IV | TN | TN | TN | FP | TN | TN | 6 | 5 | 1 | 83% | |
| 61 | Dodecane | 112-40-3 | III | TN | TN | TN | FP | TN | TN | 6 | 5 | 1 | 83% | |
| 353 | Methyl cyclopentane | 96-37-7 | III | FP | TN | TN | TN | TN | 5 | 4 | 1 | 80% | ||
| 19 | 1,2,6-Hexanetriol | 106-69-4 | IV | TN | FP | TN | TN | 4 | 3 | 1 | 75% | |||
| 345 | Phenothiazine | 92-84-2 | FP | TN | TN | 3 | 2 | 1 | 67% | |||||
| 9 | Triethanolamine | 102-71-6 | III | TN | FP | TN | 3 | 2 | 1 | 67% | ||||
| 2 | Styrene | 100-42-5 | III | TN | FP | TN | 3 | 2 | 1 | 67% | ||||
| 121 | 1,9-Decadiene | 1647-16-1 | IV | FP | TN | TN | FP | TN | 5 | 3 | 2 | 60% | ||
| 335 | Tween 20 | 9005-64-5 | III | TN | TN | FP | TN | FP | 5 | 3 | 2 | 60% | ||
| 275 | 1-Bromo-4-chlorobutane | 6940-78-9 | IV | FP | FP | TN | TN | 4 | 2 | 2 | 50% | |||
| 240 | 2,4-Pentanediol | 625-69-4 | IV | FP | FP | TN | TN | 4 | 2 | 2 | 50% | |||
| 168 | p-Methyl thiobenzaldehyde | 3446-89-7 | IV | TN | FP | 2 | 1 | 1 | 50% | |||||
| 39 | Methyl amyl ketone | 110-43-0 | III | FP | TN | 2 | 1 | 1 | 50% | |||||
| 351 | 1,2,4-Trimethylbenzene | 95-63-6 | III | FP | TN | 2 | 1 | 1 | 50% | |||||
| 352 | 1,2,3-Trichloropropane | 96-18-4 | III | FP | TN | 2 | 1 | 1 | 50% | |||||
| 264 | Dimethyl sulfoxide | 67-68-5 | III | FP | FP | FP | TN | TN | 5 | 2 | 3 | 40% | ||
| 96 | Cetylpyridinium bromide 0.1% | 140-72-7 | III | FP | FP | TN | 3 | 1 | 2 | 33% | ||||
| 86 | Silicic acid | 1343-98-2 | FP | FP | TN | 3 | 1 | 2 | 33% | |||||
| 318 | Theobromine | 83-67-0 | FP | FP | TN | 3 | 1 | 2 | 33% | |||||
| 106 | 2–Mercaptopyrimidine | 1450-85-7 | IV | FP | FP | TN | 3 | 1 | 2 | 33% | ||||
| 308 | Tetrabromobisphenol A | 79-94-7 | FP | FP | TN | 3 | 1 | 2 | 33% | |||||
| 146 | 3-Glycidoxypropyltrimethoxysilane | 2530-83-8 | IV | FP | FP | TN | 3 | 1 | 2 | 33% | ||||
| 174 | Ethyl trimethyl acetate | 3938-95-2 | III | FP | FP | TN | 3 | 1 | 2 | 33% | ||||
| 76 | n-Butyl acetate | 123-86-4 | III | FP | FP | FP | TN | 4 | 1 | 3 | 25% | |||
| 175 | 2,2-Dimethyl-3-pentanol | 3970-62-5 | III | FP | FP | FP | TN | 4 | 1 | 3 | 25% | |||
| 221 | N,N-Dimethylguanidine sulfate | 598-65-2 | III | FP | FP | FP | TN | 4 | 1 | 3 | 25% | |||
| 362 | 1,3-Di-iso-propylbenzene | 99-62-7 | IV | FP | FP | FP | TN | 4 | 1 | 3 | 25% | |||
| 30 | Toluene | 108-88-3 | III | FP | FP | FP | FP | TN | 5 | 1 | 4 | 20% | ||
| 26 | Methyl isobutyl ketone | 108-10-1 | III | FP | FP | FP | FP | TN | 5 | 1 | 4 | 20% | ||
| 112 | Sodium lauryl sulfate (3%) | 151-21-3 | III | FP | FP | FP | FP | FP | 5 | 0 | 5 | 0% | ||
| 101 | Ethyl acetate | 141-78-6 | III | FP | FP | FP | FP | FP | 5 | 0 | 5 | 0% | ||
| 282 | 1-(9H-Carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol | 72956-09-3 | IV | FP | FP | FP | FP | 4 | 0 | 4 | 0% | |||
| 193 | Tetraaminopyrimidine sulfate | 5392-28-9 | III | FP | FP | FP | FP | 4 | 0 | 4 | 0% | |||
| 32 | Cyclohexanone | 108-94-1 | III | FP | FP | FP | 3 | 0 | 3 | 0% | ||||
| 349 | Propyl-4-hydroxybenzoate | 94-13-3 | FP | FP | FP | 3 | 0 | 3 | 0% | |||||
| 55 | 2-(2-Ethoxyethoxy) ethanol | 111-90-0 | III | FP | FP | FP | 3 | 0 | 3 | 0% | ||||
| 90 | 3-Phenoxy benzyl alcohol | 13826-35-2 | III | FP | FP | FP | 3 | 0 | 3 | 0% | ||||
| 139 | 2-Ethoxyethyl methacrylate | 2370-63-0 | IV | FP | FP | FP | 3 | 0 | 3 | 0% | ||||
| 74 | 2,4-Pentanedione | 123-54-6 | III | FP | FP | FP | 3 | 0 | 3 | 0% | ||||
| 20 | Glycidyl methacrylate | 106-91-2 | III | FP | FP | 2 | 0 | 2 | 0% | |||||
| 71 | 3,4-Dimethoxy benzaldehyde | 120-14-9 | III | FP | FP | 2 | 0 | 2 | 0% | |||||
| 25 | 1-Nitropropane | 108-03-2 | IV | FP | FP | 2 | 0 | 2 | 0% | |||||
| 102 | Ethyl acetoacetate | 141-97-9 | III | FP | FP | 2 | 0 | 2 | 0% | |||||
| 34 | 2-Methoxyethanol | 109-86-4 | III | FP | FP | 2 | 0 | 2 | 0% | |||||
| 287 | Trichloroacetic acid (3%) | 76-03-9 | III | FP | FP | 2 | 0 | 2 | 0% | |||||
| 244 | Ethylene glycol diethyl ether | 629-14-1 | IV | FP | FP | 2 | 0 | 2 | 0% |
Table 5A. Identification of Non-Classified 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; TN = True Negative; FP = False Positive; % is the number of FPs divided by the total tests performed on each chemical.