PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pentanenitrile; (Valeronitrile) | 110-59-8 | 1993 |
4.09
7.01
4.07
7.11
3.07
|
|||||||||
| Formula | Synonyms | |||||||||||
| C5-H9-N | VALERONITRILE, 1-BUTYL CYANIDE, 1-CYANOBUTANE, BUTANE, 1-CYANO-, BUTYL CYANIDE, N-PENTANENITRILE, N-VALERONITRILE, PENTANENITRILE, PENTANOIC ACID, NITRILE | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 83.15 | L | -96.2 | 141.3 | 0.8008 @ 20°C |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 1.0 | 11 | 66 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.29 | 3.2 | 19 |
Technical Basis
A review of limited sources identified a rat oral LD50 that was selected as the TEEL-3 basis and evaluated using factors in Tables 3.2, 3.3, and 3.4. 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 (332 mg/kg)
This review generated TEEL values inconsistent with Rev. 29A. In Rev. 29A the TEEL-3 basis was a mouse oral LD50, however the current basis is a more preferred species (rat > mouse). The TEEL-2 and TEEL-1 methodologies remain consistent with differences due to the change of the TEEL-3 basis.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat oral LD50 (332 mg/kg)
This review generated TEEL values inconsistent with Rev. 29A. In Rev. 29A the TEEL-3 basis was a mouse oral LD50, however the current basis is a more preferred species (rat > mouse). The TEEL-2 and TEEL-1 methodologies remain consistent with differences due to the change of the TEEL-3 basis.
References
Chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/Valeronitrile.
Rat oral LD50: European Chemicals Agency’s Chemicals Database, 1983 Study Report, https://echa.europa.eu/registration-dossier/-/registered-dossier/5544/7/3/2/?documentUUID=6213857b-d58e-4967-b60f-7e89a4b3f38f