108057
Methyl phenylacetate
ReagentPlus®, ≥99%
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About This Item
Linear Formula:
C6H5CH2CO2CH3
CAS Number:
Molecular Weight:
150.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-940-9
Beilstein/REAXYS Number:
878795
MDL number:
Assay:
≥99%
Quality Level
product line
ReagentPlus®
assay
≥99%
refractive index
n20/D 1.503 (lit.)
bp
218 °C (lit.)
density
1.066 g/mL at 20 °C (lit.)
SMILES string
COC(=O)Cc1ccccc1
InChI
1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI key
CRZQGDNQQAALAY-UHFFFAOYSA-N
Application
Methyl phenylacetate was used as model compound for partition coefficient measurement experiments.
Biochem/physiol Actions
Methyl phenylacetate undergoes decomposition on photolysis in methanol. Methyl phenylacetate acts as acylating agent and causes the enantioselective acylation of beta-lactam intermediate using penicillin G amidase. Methyl phenylacetate is the starting material in manufacture of synthetic perfumes.
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
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Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
211.1 °F - closed cup
flash_point_c
99.5 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
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Photolysis of phenylacetic acid and methyl phenylacetate in methanol.
Meiggs TO and Miller SI.
Journal of the American Chemical Society, 94(6), 1989-1996 (1972)
Yichen Cao et al.
Journal of pharmaceutical sciences, 93(11), 2768-2779 (2004-09-25)
The ability to predict drug solubility and partitioning in triglyceride solvents from the chemical structures of the solute and the triglyceride would be highly useful in drug formulation development and in screening drug candidates for lipid solubility and possibly drug
Enantioselective acylation of a beta-lactam intermediate in the synthesis of loracarbef using penicillin G amidase.
Zmijewski Jr MJ, et al.
Tetrahedron Letters, 32(13), 1621-1622 (1991)