Acetic acid,2,2,2-trichloro-, 1-methylethyl ester

Modify Date: 2025-09-29 10:01:03

Acetic acid,2,2,2-trichloro-, 1-methylethyl ester Structure
Acetic acid,2,2,2-trichloro-, 1-methylethyl ester structure
 Common Name Acetic acid,2,2,2-trichloro-, 1-methylethyl ester
CAS Number 3974-99-0 Molecular Weight 205.46700
Density 1.377g/cm3 Boiling Point 179.4ºC at 760mmHg
Molecular Formula C5H7Cl3O2 Melting Point N/A
MSDS N/A Flash Point 63.1ºC

 Names

Name propan-2-yl 2,2,2-trichloroacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.377g/cm3
Boiling Point 179.4ºC at 760mmHg
Molecular Formula C5H7Cl3O2
Molecular Weight 205.46700
Flash Point 63.1ºC
Exact Mass 203.95100
PSA 26.30000
LogP 2.30820
Index of Refraction 1.468
InChIKey JYXIYFNAIFVCAN-UHFFFAOYSA-N
SMILES CC(C)OC(=O)C(Cl)(Cl)Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ8375500
CHEMICAL NAME :
Acetic acid, trichloro-, 1-methylethyl ester
CAS REGISTRY NUMBER :
3974-99-0
LAST UPDATED :
199806
DATA ITEMS CITED :
3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3120 uL/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545852
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>7500 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545852

 Synonyms

EINECS 223-604-8
Isopropyl trichloroacetate
Acetic acid,trichloro-,1-methylethyl ester
1-Methylethyl trichloroacetate
trichloro-acetic acid,1-methylethyl ester
Caswell No. 513
Trichlor-essigsaeure-isopropylester
Trichloroaetic acid isopropyl ester
trichloro-acetic acid isopropyl ester
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Chemsrc provides CAS#:3974-99-0 MSDS, density, melting point, boiling point, structure, etc. Its name is Acetic acid,2,2,2-trichloro-, 1-methylethyl ester>> amp version: Acetic acid,2,2,2-trichloro-, 1-methylethyl ester

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