Acetic acid, 2-chloro-,2-phenylethyl ester

Modify Date: 2025-08-25 16:49:27

Acetic acid, 2-chloro-,2-phenylethyl ester Structure
Acetic acid, 2-chloro-,2-phenylethyl ester structure
 Common Name Acetic acid, 2-chloro-,2-phenylethyl ester
CAS Number 7476-91-7 Molecular Weight 198.64600
Density 1.167g/cm3 Boiling Point 281.8ºC at 760 mmHg
Molecular Formula C10H11ClO2 Melting Point N/A
MSDS N/A Flash Point 135.3ºC

 Names

Name 2-phenylethyl 2-chloroacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.167g/cm3
Boiling Point 281.8ºC at 760 mmHg
Molecular Formula C10H11ClO2
Molecular Weight 198.64600
Flash Point 135.3ºC
Exact Mass 198.04500
PSA 26.30000
LogP 2.01110
Index of Refraction 1.519
InChIKey MVUXHXZFGGRGNC-UHFFFAOYSA-N
SMILES O=C(CCl)OCCc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF9800000
CHEMICAL NAME :
Acetic acid, chloro-, phenethyl ester
CAS REGISTRY NUMBER :
7476-91-7
BEILSTEIN REFERENCE NO. :
2102303
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H11-Cl-O2
MOLECULAR WEIGHT :
198.66
WISWESSER LINE NOTATION :
G1VO2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 8,99,1956

 Safety Information

HS Code 2915400090

 Synthetic Route

Phenethyl alcohol structure

Phenethyl alcohol

CAS#:60-12-8

Chloroacetic anhydride structure

Chloroacetic an...

CAS#:541-88-8

~96%

Acetic acid, 2-chloro-,2-phenylethyl ester Structure

Acetic acid, 2-...

CAS#:7476-91-7

Literature: Chen, Chien-Tien; Kuo, Jen-Huang; Pawar, Vijay D.; Munot, Yogesh S.; Weng, Shieu-Shien; Ku, Cheng-Hsiu; Liu, Cheng-Yuan Journal of Organic Chemistry, 2005 , vol. 70, # 4 p. 1188 - 1197
Phenethyl alcohol structure

Phenethyl alcohol

CAS#:60-12-8

Chloroacetyl chloride structure

Chloroacetyl ch...

CAS#:79-04-9

~%

Acetic acid, 2-chloro-,2-phenylethyl ester Structure

Acetic acid, 2-...

CAS#:7476-91-7

Literature: Weil Roczniki Farm., vol. 2, p. 11 Chem. Zentralbl., 1924 , vol. 95, # II p. 208
Phenethyl alcohol structure

Phenethyl alcohol

CAS#:60-12-8

Chloroacetic acid structure

Chloroacetic acid

CAS#:79-11-8

~%

Acetic acid, 2-chloro-,2-phenylethyl ester Structure

Acetic acid, 2-...

CAS#:7476-91-7

Literature: Saigo,K. et al. Bulletin of the Chemical Society of Japan, 1977 , vol. 50, p. 1863 - 1866

 Customs

HS Code 2915400090
Summary 2915400090 mono-, di- or trichloroacetic acids, their salts and esters

 Synonyms

ACETIC ACID,CHLORO-,PHENETHYL ESTER
Chlor-essigsaeure-phenaethylester
2-phenylethyl chloroacetate
Phenethyl chloroacetate
phenylethylchloroacetate
chloroacetic acid 2-phenylethyl ester
Chloro-acetic acid phenethyl ester
EINECS 231-279-9
Acetic acid,chloro-,2-phenylethyl ester
phenethyl 2-chloroacetate
Chloressigsaeure-2-phenylethylester
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Chemsrc provides CAS#:7476-91-7 MSDS, density, melting point, boiling point, structure, etc. Its name is Acetic acid, 2-chloro-,2-phenylethyl ester>> amp version: Acetic acid, 2-chloro-,2-phenylethyl ester

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