PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Chloro-2-methyl-1-propene, 3- | 563-47-3 | 2554 |
15.01
11.01
15.02
4.05
7.01
11.00
4.06
4.10
4.07
3.09
|
|||||||||
| Formula | Synonyms | |||||||||||
| C4H7Cl | METHYLALLYL CHLORIDE, 1-CHLORO-2-METHYL-2-PROPENE, 2-(CHLOROMETHYL)-1-PROPENE, 2-METHALLYL CHLORIDE, 2-METHYL-2-PROPENYL CHLORIDE, 2-METHYL-3-CHLOROPROPENE, 2-METHYLALLYL CHLORIDE, 3-CHLORO-2-METHYL-1-PROPENE, 3-CHLORO-2-METHYLPROPENE, 3-CHLOROISOBUTENE, 3-CHLOROISOBUTYLENE, BETA-METHALLYL CHLORIDE, BETA-METHYLALLYL CHLORIDE, CHLORURE DE MÉTHYLALLYLE (DOT FRENCH), CLORURO DE METILALILO (DOT SPANISH), GAMMA-CHLOROISOBUTYLENE, ISOBUTENYL CHLORIDE, METHALLYL CHLORIDE, NCI-C54820, PROPENE, 3-CHLORO-2-METHYL-, UN 2554 | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 90.56 | L | 72.17 | 101.7 | 20 | 0.9257 @ 20°C | 32000 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.7 | 8 | 45 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 2.6 | 30 | 170 |
Technical Basis
Exposure limits were not found, but toxicity data were available from several sources. This data included LC50 (rat, inhalation)1, LCLo (human, inhalation)2, and LD50 (rat, oral)3. Concentration is preferable to doses (LC50 > LCLo > LD50), human data is preferable to animals (human > rat) and inhalation is preferable to other routes (inhalation > oral). However, the human-based data is an LCLo from 1969 making it less desirable as a basis. The LD50 rat oral data is the most recent, from 2000. After deriving TEELs from the various species and routes, the rat LD50 data provided the most conservative thresholds, thus the LD50 was selected as the basis for the TEEL-3 basis. TEEL-2 and TEEL-1 values were calculated according to guidance in Table 3.5.
• TEEL-1: TEEL-2/11
• TEEL-2: TEEL-3/6
• TEEL-3: Estimated from rat oral LD50 (848 mg/kg)
This review generated a TEEL-3 that is consistent with Rev. 29A. TEEL-2 and TEEL-1 values are more conservative than Rev. 29A, due to a different basis. The Rev. 29A TEEL-2 basis (TDLo) was not found during current research.
• TEEL-1: TEEL-2/11
• TEEL-2: TEEL-3/6
• TEEL-3: Estimated from rat oral LD50 (848 mg/kg)
This review generated a TEEL-3 that is consistent with Rev. 29A. TEEL-2 and TEEL-1 values are more conservative than Rev. 29A, due to a different basis. The Rev. 29A TEEL-2 basis (TDLo) was not found during current research.
References
Rat 30-minute LC50: Fiziologicheski Aktivnye Veshchestva, 7,35,1975; National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 11241, 3-Chloro-2-methylpropene. Retrieved April 5, 2023 from https://pubchem.ncbi.nlm.nih.gov/compound/3-Chloro-2-methylpropene.
Human 10-minute LCLo: Toxicology of Drugs and Chemicals, Deichmann, W.B., New York, Academic Press, Inc., 1969, 377,1969; National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 11241, 3-Chloro-2-methylpropene. Retrieved April 5, 2023 from https://pubchem.ncbi.nlm.nih.gov/compound/3-Chloro-2-methylpropene.
Rat oral LD50: National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information., OTS0539687; National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 11241, 3-Chloro-2-methylpropene. Retrieved April 5, 2023 from https://pubchem.ncbi.nlm.nih.gov/compound/3-Chloro-2-methylpropene.