PAC Database - Detailed Chemical Data

Chemical Identity
Chemical CAS# UN# Health Code Numbers
Hexanethiol, 1-; (N-Hexylmercaptan) 111-31-9 1228
15.01
8.00
11.00
7.00
15.02
11.01
4.07
4.06
Formula Synonyms
C6.H14.S
Physical Properties
Mol Wt State MP (°C) BP (°C) VP (Hg) VP (°C) SG LEL (ppm)
118.26 L 151.11 0.84
PAC Values
PAC Values (Original Units: ppm)
PAC-1 PAC-2 PAC-3
0.045 0.50 48
Converted PAC Values (mg/m3)
PAC-1 PAC-2 PAC-3
0.22 2.4 230
Technical Basis
A review of available sources identified exposure limits (REL-C) and acute toxicity data (LC50, LD50) 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 4-hour rat LC50, was selected as the TEEL-3 basis and scaled to 60-minute equivalent using the ten Berge equation (Section 3.3.4). The REL-C was selected as the TEEL-2. The TEEL-1 value was derived according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = REL-C (0.5 ppm)
• TEEL-3 = Rat LC50 (1080 ppm/4H)
This review generated TEEL values consistent with Rev. 29A.
References
REL-C (NIOSH), retrieved from: https://ilv.ifa.dguv.de/limitvalues/32214; Also available for retrieval from: https://haz-map.com/Agents/191?referer=Search&referer_data%5bs%5d=111-31-9&return_url=%2fSearch%3fdofilter%3d1%26f%255Btab%255D%3dtab1%26f%255Bs%255D%3d111-31-9
American Industrial Hygiene Association Journal., 19(171), 1958 [PMID:13559131]. Retrieved May 3, 2024 from https://pubchem.ncbi.nlm.nih.gov/compound/1-Hexanethiol
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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.