PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Butylbenzene, sec-; (2-Phenylbutane) | 135-98-8 |
15.02
16.01
3.10
3.09
3.02
7.11
|
||||||||||
| Formula | Synonyms | |||||||||||
| C10H14 | ||||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 134.22 | L | -82.7 | 173.5 | 1.75 | 25 | 0.8580 | 8000 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 5.8 | 64 | 380 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 1.1 | 12 | 69 |
Technical Basis
A review of available data sources identified the following: rat oral and rabbit dermal LD50 toxicity data for this chemical. Each was evaluated using the guidelines for calculating equivalent values in the TEEL Handbook (Section 3.3.3). Of the available data, the rat oral data is more preferred based on species and route of administration (see Section 3.3.2) and was therefore selected as the TEEL-3 basis. The dose was converted to mg/kg using a density of 0.863 g/mL. TEEL-2 and TEEL-1 values were derived according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat oral LD50 (2240 uL/kg converted to 1933 mg/kg)
This review generated values that are slightly more conservative than those reported in Rev. 29A. Although the methodology is the same between the current recommendation and Rev. 29A (rat oral LD5o,) the data used as the TEEL-3 basis in Rev. 29A was not found during current research.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat oral LD50 (2240 uL/kg converted to 1933 mg/kg)
This review generated values that are slightly more conservative than those reported in Rev. 29A. Although the methodology is the same between the current recommendation and Rev. 29A (rat oral LD5o,) the data used as the TEEL-3 basis in Rev. 29A was not found during current research.
References
Rat oral LD50 and rabbit dermal LD50: Toxicology and Applied Pharmacology., 28(313), 1974 [PMID:4854023]; via PubChem: National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 8680, Sec-butylbenzene. Retrieved from https://pubchem.ncbi.nlm.nih.gov/compound/Sec-butylbenzene
sec-Butylbenzene density: Sigma Aldrich; https://www.sigmaaldrich.com/US/en/product/aldrich/b90408