101-41-7 methyl 2-phenylacetate

1. Names and Identifiers
1.1 Name
Methyl phenylacetate
1.2 Synonyms
Benzeneacetic acid, methyl esterEINECS 202-940-9methyl 2-phenylacetateMFCD00008453Phenylacetic Acid Methyl Ester

1.3 CAS No.
101-41-7
1.4 CID
7559
1.5 EINECS(EC#)
202-940-9
1.6 Molecular Formula
C9H10O2 (isomer)
1.7 Inchi
InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
1.8 InChkey
CRZQGDNQQAALAY-UHFFFAOYSA-N
1.9 Canonical Smiles
COC(=O)CC1=CC=CC=C1
1.10 Isomers Smiles
COC(=O)CC1=CC=CC=C1
2. Properties
2.1 Density
1.04
2.1 Melting point
49 - 50
2.1 Boiling point
218℃
2.1 Refractive index
1.506-1.508
2.1 Flash Point
90℃
2.1 Vapour Pressure
0.1±0.4 mmHg at 25°C
2.2 Precise Quality
150.06800
2.2 PSA
26.30000
2.2 logP
1.40210
2.2 Appearance
colourless liquid
2.3 Storage
Ambient temperatures.
2.4 Chemical Properties
Methyl phenylacetate has an intense odor suggestive of honey andjasmine with a sweet, honey-like flavor. May be prepared by methanolicesterification of the corresponding acid or nitrile; by reactingHCL over a solution of benzyl nitrile in methanol.
2.5 Water Solubility
Miscible with water.
2.6 Stability
Stable. Combustible. Incompatible with strong oxidizing agents,strong bases.
2.7 StorageTemp
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.