PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Adiponitrile | 111-69-3 | 2205 |
15.01
4.01
11.01
15.02
4.08
4.05
7.01
8.00
11.00
4.06
|
|||||||||
| Formula | Synonyms | |||||||||||
| C6H8N2 | ADIPONITRILE, 1,4-DICYANOBUTANE, ADIPIC ACID DINITRILE, ADIPIC ACID NITRILE, ADIPIC DINITRILE, ADIPODINITRILE, ADIPONITRIL, ADIPONITRILE (DOT FRENCH), ADIPONITRILO (DOT SPANISH), HEXANEDINITRILE, HEXANEDIOIC ACID, DINITRILE, TETRAMETHYL CYANIDE, TETRAMETHYLENE CYANIDE, TETRAMETHYLENE DICYANIDE, UN 2205 | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 108.16 | S needles | 1 | 295 | 0.00068 | 25 | 0.9676 @ 20°C | 10000 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 1.5 | 17 | 75 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.34 | 3.8 | 17 |
Technical Basis
A review of available sources identified the following: a LOC and mouse and rat acute toxicity data (LD50, LC50) for various 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 rat LC50, was selected as the TEEL-3 basis and it was scaled to 60-minute equivalent using the ten Berge equation (Section 3.3.4). The LOC value was selected as the TEEL-2. The TEEL-1 was calculated according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = LOC (0.017 g/m3)
• TEEL-3 = Rat LC50 (1710 mg/m3/4H)
This review generated a TEEL-3 value that is inconsistent with Rev. 29A. The Rev. 29A TEEL-3 basis was an LCLo, while the current TEEL-3 basis is an LC50 which is more preferred (LC50 > LCLo). The Rev. 29A and current TEEL-2 and TEEL-1 values and source are consistent.
• TEEL-1 = TEEL-2/11
• TEEL-2 = LOC (0.017 g/m3)
• TEEL-3 = Rat LC50 (1710 mg/m3/4H)
This review generated a TEEL-3 value that is inconsistent with Rev. 29A. The Rev. 29A TEEL-3 basis was an LCLo, while the current TEEL-3 basis is an LC50 which is more preferred (LC50 > LCLo). The Rev. 29A and current TEEL-2 and TEEL-1 values and source are consistent.
References
Rat LC50: Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1-76,1981. Retrieved from https://pubchem.ncbi.nlm.nih.gov/compound/Adiponitrile.
Appendix C, pg. C-2: https://www.epa.gov/sites/default/files/2015-09/documents/technical_guidance_for_hazard_analysis.pdf