PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Butyl isocyanate, tert- | 1609-86-5 | 2484 |
14.01
14.02
11.01
11.00
9.00
4.07
|
|||||||||
| Formula | Synonyms | |||||||||||
| C5.H9.N.O | TERT-BUTYL ISOCYANATE, 1,1-DIMETHYLETHYL ISOCYANATE, 2-ISOCYANATO-2-METHYLPROPANE, ISOCIANATO DE TER-BUTILO (DOT SPANISH), ISOCYANATE DE TERT-BUTYLE (DOT FRENCH), ISOCYANIC ACID, TERT-BUTYL ESTER, T-BUTYLISOCYANATE | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 99.131 | S | 0.8670 @ 7°C |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 1.1 | 12 | 70 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.27 | 3.0 | 17 |
Technical Basis
A review of available sources identified the following: rat LC50 and oral LD50. 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 LC50 was scaled to 60-minute equivalent using the ten Berge equation (Section 3.3.4). The most preferred toxicity data, the rat LC50, was selected as the TEEL-3 basis. TEEL-2 and TEEL-1 values were calculated according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat 4-hr LC50 (1593 mg/m3)
This review generated TEEL values that are less conservative than those reported in Rev. 29A. The source referenced in Rev. 29A was identified as a ”Dust” lethal concentration in Fisher Scientific SDS (0.06 mg/L/4h) identified during current research, which was deemed inappropriate as a TEEL basis for this chemical, due to its state as a liquid at room temperature.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat 4-hr LC50 (1593 mg/m3)
This review generated TEEL values that are less conservative than those reported in Rev. 29A. The source referenced in Rev. 29A was identified as a ”Dust” lethal concentration in Fisher Scientific SDS (0.06 mg/L/4h) identified during current research, which was deemed inappropriate as a TEEL basis for this chemical, due to its state as a liquid at room temperature.
References
https://cameochemicals.noaa.gov/chemical/2697
https://pubchem.ncbi.nlm.nih.gov/compound/62412
Rat 4-hr LC50, effect level;https://echa.europa.eu/de/registration-dossier/-/registered-dossier/12810/7/3/3/
Sigma Aldrich SDS (1988); OECD Guideline 403 (Acute Inhalation Toxicity) listed as testing method: https://www.sigmaaldrich.com/US/en/sds/aldrich/144452
https://echa.europa.eu/de/registration-dossier/-/registered-dossier/12810/7/3/2/