PAC Database - Detailed Chemical Data

Chemical Identity
Chemical CAS# UN# Health Code Numbers
Safrol; (5-(2-Propenyl)-1,3-benzodioxole) 94-59-7
15.02
4.08
4.05
7.01
8.00
11.00
4.09
4.10
4.07
2.00
Formula Synonyms
C10H10O2 SAFROLE, 1,2-METHYLENEDIOXY-4-ALLYLBENZENE, 1,3-BENZODIOXOLE, 5-ALLYL-, 1-ALLYL-3,4-METHYLENEDIOXYBENZENE, 3,4-METHYLENEDIOXY-ALLYLBENZENE, 3-(3,4-METHYLENEDIOXYPHENYL)PROP-1-ENE, 4-ALLYL-1,2-(METHYLENEDIOXY)BENZENE, 4-ALLYLPYROCATECHOL FORMALDEHYDE ACETAL, 5-(2-PROPENYL)-1,3-BENZODIOXOLE, 5-ALLYL-1,3-BENZODIOXOLE, ALLYLCATECHOL METHYLENE ETHER, ALLYLDIOXYBENZENE METHYLENE ETHER, ALLYLPYROCATECHOL METHYLENE ETHER, BENZENE, 4-ALLYL-1,2-(METHYLENEDIOXY)-, M-ALLYLPYROCATECHIN METHYLENE ETHER, NCI-C00362, RHYUNO OIL, SAFRENE, SAFROL, SAFROLE MF, SHIKIMOLE, SHIKOMOL
Physical Properties
Mol Wt State MP (°C) BP (°C) VP (Hg) VP (°C) SG LEL (ppm)
162.2 L 11 232.5 1 63.8 1.0960 @ 20°C
PAC Values
PAC Values (Original Units: mg/m3)
PAC-1 PAC-2 PAC-3
5.9 64 390
Converted PAC Values (ppm)
PAC-1 PAC-2 PAC-3
0.89 9.6 59
Technical Basis
A review of available sources identified acute toxicity data (LD50, LDLo) for several 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. The most preferred route and species toxicity data, a rat oral LD50, was selected as the TEEL-3 basis. TEEL-2 and TEEL-1 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 (1950 mg/kg)
This review generated PAC values consistent with Rev. 29A*.
References
Chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/Safrole
Rat oral LD50 Toxicology and Applied Pharmacology., 7(18), 1965. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/Safrole
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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.