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64046-48-6

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Basic Information
CAS No.: 64046-48-6
Name: 3-phenylpropyl chloroacetate
Article Data: 4
Molecular Structure:
Molecular Structure of 64046-48-6 (3-phenylpropyl chloroacetate)
Formula: C11H13 Cl O2
Molecular Weight: 212.676
Synonyms: Aceticacid, chloro-, 3-phenylpropyl ester (9CI); NSC 6021
Density: 1.139g/cm3
Boiling Point: 309.2°Cat760mmHg
Flash Point: 151.8°C
Safety: Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of Cl−.
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Chemistry

Molecular structure of 3-Phenylpropyl chloroacetate (CAS NO.64046-48-6) is:

Product Name: 3-Phenylpropyl chloroacetate
CAS Registry Number: 64046-48-6
IUPAC Name: 3-phenylpropyl 2-chloroacetate
Molecular Weight: 212.67272 [g/mol]
Molecular Formula: C11H13ClO2
XLogP3: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Surface Tension: 38.9 dyne/cm
Density: 1.139 g/cm3
Flash Point: 151.8 °C
Enthalpy of Vaporization: 54.99 kJ/mol
Boiling Point: 309.2 °C at 760 mmHg
Vapour Pressure: 0.000651 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 734, 1956.

Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of Cl−.

Specification

 3-Phenylpropyl chloroacetate , its cas register number is 64046-48-6. It also can be called BRN 5526604 ; Acetic acid, chloro-, 3-phenylpropyl ester .