PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ethyl hexanoic acid, 2-; (Butyl ethyl acetic acid) | 149-57-5 | 8027 |
14.01
4.01
11.01
4.05
7.01
8.00
11.00
4.10
4.07
3.02
|
|||||||||
| Formula | Synonyms | |||||||||||
| C8H16O2 | ETHYLHEXOIC ACID, (.+-.)-2-ETHYLHEXANOIC ACID, 2-BUTYLBUTANOIC ACID, 2-ETHYL-1-HEXANOIC ACID, 2-ETHYLCAPROIC ACID, 2-ETHYLHEXANOIC ACID, 2-ETHYLHEXOIC ACID, 3-HEPTANECARBOXYLIC ACID, ALPHA-ETHYLCAPROIC ACID, ALPHA-ETHYLHEXANOIC ACID, BUTYLETHYLACETIC ACID, ETHYLHEXANOIC ACID, HEXANOIC ACID, 2-ETHYL-, HEXONIC ACID, 2-ETHYL- | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 144.21 | L | 228 | 7.5 | 108 | 0.9031 | 8000 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 2.5 | 9.0 | 54 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 15 | 53 | 320 |
Technical Basis
A review of available data sources identified the following: TLV-TWA and LD50 (rat) toxicity values for oral exposures. Each was evaluated using the guidelines for calculating equivalent values in the TEEL Handbook.
The lowest reported rat oral LD50 was selected to estimate a TEEL-3. A TEEL-2 estimate was calculated from the TEEL-3 value, according to guidance in Table 3.5. A TEEL-1 was derived from the TLV-TWA exposure limit.
• TEEL-1 = TLV-TWA (5 mg/m3) x 3
• TEEL-2 = TEEL-3/6
• TEEL-3 = Estimated from rat, oral LD50 (1600 mg/kg)
This review generated TEEL values inconsistent with those published in Rev. 29A due to a more conservative starting point.
The lowest reported rat oral LD50 was selected to estimate a TEEL-3. A TEEL-2 estimate was calculated from the TEEL-3 value, according to guidance in Table 3.5. A TEEL-1 was derived from the TLV-TWA exposure limit.
• TEEL-1 = TLV-TWA (5 mg/m3) x 3
• TEEL-2 = TEEL-3/6
• TEEL-3 = Estimated from rat, oral LD50 (1600 mg/kg)
This review generated TEEL values inconsistent with those published in Rev. 29A due to a more conservative starting point.
References
https://cameochemicals.noaa.gov/chemical/6483
TLV-TWA: National Center for Biotechnology Information (2023). PubChem Annotation Record for 2-ETHYLHEXANOIC ACID, Source: Hazardous Substances Data Bank (HSDB)from https://pubchem.ncbi.nlm.nih.gov; https://pubchem.ncbi.nlm.nih.gov/source/hsdb/5649#section=Disposal-Methods-(Complete)
https://www.cdc.gov/niosh-rtecs/MO757E20.html
https://pubchem.ncbi.nlm.nih.gov/compound/2-Ethylhexanoic-acid#section=Non-Human-Toxicity-Values