1-phenylethyl 2-chloroacetoacetate

Modify Date: 2025-10-11 07:58:03

1-phenylethyl 2-chloroacetoacetate Structure
1-phenylethyl 2-chloroacetoacetate structure
Common Name 1-phenylethyl 2-chloroacetoacetate
CAS Number 68683-30-7 Molecular Weight 240.68300
Density 1.197g/cm3 Boiling Point 323.6ºC at 760 mmHg
Molecular Formula C12H13ClO3 Melting Point N/A
MSDS N/A Flash Point 127.7ºC

 Names

Name 1-phenylethyl 2-chloro-3-oxobutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.197g/cm3
Boiling Point 323.6ºC at 760 mmHg
Molecular Formula C12H13ClO3
Molecular Weight 240.68300
Flash Point 127.7ºC
Exact Mass 240.05500
PSA 43.37000
LogP 2.48720
Index of Refraction 1.518
InChIKey VEDDRPPPVHQCQB-UHFFFAOYSA-N
SMILES CC(=O)C(Cl)C(=O)OC(C)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK7756000
CHEMICAL NAME :
Butanoic acid, 2-chloro-3-oxo-, 1-phenylethyl ester
CAS REGISTRY NUMBER :
68683-30-7
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H13-Cl-O3

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 :
880 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 50(5),67,1985 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16016 mg/kg/26W-I
TOXIC EFFECTS :
Endocrine - other changes Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 50(5),67,1985

 Synonyms

Butanoic acid,2-chloro-3-oxo-,1-phenylethyl ester
1-Phenylethyl 2-chloroacetoacetate
1-<3-Oxo-2-chlor-butyryloxy>-1-phenyl-ethan
EINECS 272-069-7
2-CHLORO-3-OXO-BUTANOIC ACID 1-PHENYLETHYL ESTER
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