PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Heptafluorobutyric acid | 375-22-4 |
11.01
14.01
14.02
|
||||||||||
| Formula | Synonyms | |||||||||||
| C4.H.F7.O2 | ||||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 214.05 | L | 120.8 | 1.645 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.37 | 4.0 | 24 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.042 | 0.46 | 2.7 |
Technical Basis
A review of limited sources identified mouse intraperitoneal LD50 toxicity data that was selected as the TEEL-3 basis and evaluated using factors in Tables 3.2, 3.3, and 3.4. The dose is reported in units of uL/kg; therefore, the reported density (1.645 g/cm3 at 25°C) was used to convert the dose to mg/kg. 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 = Mouse intraperitoneal LD50 (68 uL/kg converted to 111.9 mg/kg with density = 1.645 g/cm3)
This review generated TEEL values inconsistent with Rev. 29A. The Rev. 29 and current TEEL-3 bases are mouse intraperitoneal LD50; however, the current dose is lower, resulting in a lower TEEL-3 value. The Rev. 29A and current TEEL-2/TEEL-1 were derived with the same methodology (Table 3.5), with different due to the change in TEEL-3.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Mouse intraperitoneal LD50 (68 uL/kg converted to 111.9 mg/kg with density = 1.645 g/cm3)
This review generated TEEL values inconsistent with Rev. 29A. The Rev. 29 and current TEEL-3 bases are mouse intraperitoneal LD50; however, the current dose is lower, resulting in a lower TEEL-3 value. The Rev. 29A and current TEEL-2/TEEL-1 were derived with the same methodology (Table 3.5), with different due to the change in TEEL-3.
References
Chemical information, see Table 4-2, pg. 641: https://www.atsdr.cdc.gov/toxprofiles/tp200-c4.pdf
Density retrieved from: https://www.sigmaaldrich.com/US/en/sds/sigma/77249?userType=anonymous
Summary Tables of Biological Tests, National Research Council Chemical-Biological Coordination Center., 2(56), 1950. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/Heptafluorobutyric-acid.