PAC Database - Detailed Chemical Data

Chemical Identity
Chemical CAS# UN# Health Code Numbers
Diethylstilbestrol; ((E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol) 56-53-1
4.08
4.05
7.01
11.00
4.06
4.04
4.10
4.07
4.13
2.01
Formula Synonyms
C18.H20.O2 DIETHYLSTILBESTROL, (E)-3,4-BIS(4-HYDROXYPHENYL)-3-HEXENE, (E)-4,4^-(1,2-DIETHYL-1,2-ETHENEDIYL)BISPHENOL, (E)-ALPHA, ALPHA'-DIETHYL-4,4'-STILBENEDIOL, (E)-DIETHYLSTILBESTROL, 2,2'-DIETHYL-4,4'-STILBENEDIOL, 3,4'(4,4'-DIHYDROXYPHENYL)HEX-3-ENE, 3,4-BIS(P-HYDROXYPHENYL)-3-HEXENE, 3-HEXENE, 3,4-BIS(P-HYDROXYPHENYL)-, 4,4'-(1,2-DIETHYL-1,2-ETHENEDIYL)BIS-PHENOL, 4,4'-DIHYDROXY-ALPHA,BETA-DIETHYLSTILBENE, 4,4'-DIHYDROXYDIETHYLSTILBENE, 4,4'-STILBENEDIOL, 2,2'-DIETHYL-, 4,4'-STILBENEDIOL, ALPHA, ALPHA'-DIETHYL-, 4,4'-STILBENEDIOL, ALPHA, ALPHA'-DIETHYL-, (E)-, 4,4'-STILBENEDIOL, ALPHA,ALPHA'-DIETHYL-, (E)-, ACNESTROL, AGOSTILBEN, ALPHA,ALPHA'-DIETHYL-(E)-4,4'-STILBENEDIOL, ALPHA,ALPHA'-DIETHYL-4,4'-STILBENEDIOL, ALPHA,ALPHA'-DIETHYLSTILBENEDIOL, ANTIGESTIL, BIO-DES, BUFON, CLIMATERINE, COMESTROL, COMESTROL ESTROBENE, CYREN, CYREN A, DAWE'S DESTROL, DEB, DES, DES (SYNTHETIC ESTROGEN), DESMA, DESTROL, DI-ESTRYL, DIASTYL, DIBESTROL, DIBESTROL '2' PREMIX, DIBESTROL 2 PREMIX, DICORVIN, DIETHYLSTILBESTEROL, DIETHYLSTILBOESTEROL, DISTILBENE, DOMESTROL, DYESTROL, ESTILBEN, ESTILBIN "MCO", ESTILBIN MCO, ESTRIL, ESTROBENE, ESTROGEN, ESTROMENIN, ESTROSYN, FOLLIDIENE, FONATOL, GRAFESTROL, GYNOPHARM, HI-BESTROL, HIBESTROL, IDROESTRIL, ISCOVESCO, MAKAROL, MENOSTILBEEN, MICREST, MICROEST, MILESTROL, NEO-OESTRANOL 1, NEO-OESTRANOL I, NSC-3070, OEKOLP, OESTROGENINE, OESTROL VETAG, OESTROLMENSIL, OESTROMENIN, OESTROMENSYL, OESTROMIENIN, OESTROMON, PABESTROL, PALESTROL, PHENOL, 4,4'-(1,2-DIETHYL-1,2-ETHENEDIYL)BIS-, (E)-, PROTECTONA, RCRA WASTE NUMBER U089, RUMESTROL 1, RUMESTROL 2, SEDESTRAN, SERRAL, SEXOCRETIN, SIBOL, SINTESTROL, STIBILIUM, STIL, STIL-ROL, STILBESTROL, STILBESTROL, DIETHYL-, STILBESTRONE, STILBETIN, STILBOEFRAL, STILBOESTROFORM, STILBOESTROL, STILBOFOLIN, STILBOFOLLIN, STILBOL, STILKAP, SYNESTRIN, SYNTHOESTRIN, SYNTHOFOLIN, SYNTOFOLIN, TAMPOVAGAN STILBOESTROL, TRANS-4,4'-(1,2-DIETHYL-1,2-ETHENEDIYL)BISPHENOL, TRANS-4,4'-DIHYDROXY-ALPHA,BETA-DIETHYLSTILBENE, TRANS-ALPHA,ALPHA'-DIETHYL-4,4'-STILBENEDIOL, TRANS-DIETHYLSTILBESTEROL, TRANS-DIETHYLSTILBESTROL, TRANS-DIETHYLSTILBOESTEROL, TYLOSTERONE, VAGESTROL
Physical Properties
Mol Wt State MP (°C) BP (°C) VP (Hg) VP (°C) SG LEL (ppm)
268.38 S
PAC Values
PAC Values (Original Units: mg/m3)
PAC-1 PAC-2 PAC-3
9.0 99 590
Converted PAC Values (ppm)
PAC-1 PAC-2 PAC-3
0.82 9.0 54
Technical Basis
A review of available sources identified acute toxicity data (LD50, LDLo, TDLo) for various species and routes. Data sources were selected according to the hierarchy listed in Table 3.1. Toxicity data were selected according to type of exposure, species, and route according to the hierarchies stated in Sections 3.3.1, 3.3.2, and evaluated using factors in Tables 3.2, 3.3, and 3.4. A human (women) oral TDLo was evaluated for the TEEL-3 basis; however, the authors of the study determined it was chronic and incorporated multiple drugs for analysis, therefore it was not selected for TEEL calculations. Similarly, a human dermal TDLo was evaluated but it did not identify acute toxic effects from exposure and was not selected for TEEL development. Instead, the most preferred species and route data, a rat oral LD50, was selected as the TEEL-3 basis. TEEL-1 and TEEL-2 values were derived according to Table 3.5.
• PAC-1 = TEEL-1 = TEEL-2/11
• PAC-2 = TEEL-2 = TEEL-3/6
• PAC-3 = TEEL-3 = Rat oral LD50 (3000 mg/kg)
This review generated PAC values consistent with Rev. 29A.
References
Chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/Diethylstilbestrol.
Women oral TDLo: American Journal of Psychiatry., 151(1246), 1994. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/Diethylstilbestrol.
Human dermal TDLo: American Industrial Hygiene Association Journal., 20(469), 1959 [PMID:13843107]. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/Diethylstilbestrol
Rat oral LD50: Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 1196. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/Diethylstilbestrol.
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PAC values marked with a subscript "A" correspond to 60-minute AEGL values.
PAC values marked with a subscript "E" correspond to ERPG values.
PAC values marked by * are >= 10% lower explosive limit (LEL) but < 50% LEL.
PAC values marked by ** are > 50% LEL but < 100% LEL.
PAC values marked by *** are >= LEL.