METHYL PHENYLACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H10O2
Molecular Weight	150.1745
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)CC1=CC=CC=C1

InChI

InChIKey=CRZQGDNQQAALAY-UHFFFAOYSA-N

InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H10O2
Molecular Weight	150.1745
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Solid-phase enolate chemistry investigated using HR-MAS NMR spectroscopy.	2002 Jan 25	11798327
Computational and experimental studies of the effect of substituents on the singlet-triplet energy gap in phenyl(carbomethoxy)carbene.	2002 May 3	11975570
GRID/tetrahedral intermediate computational approach to the study of selectivity of penicillin G acylase in amide bond synthesis.	2002 Nov 19	12429506
Fluoride-induced chemiluminescent decomposition of 1,2-dioxetanes bearing a phenyl moiety substituted with a methyl having an electron-withdrawing group.	2003 Feb 21	12638960
The scent of Mycobacterium tuberculosis.	2008 Jul	18296120
Plant odor analysis of potato: response of guatemalan moth to above- and belowground potato volatiles.	2009 Jul 8	19496533
[2,2'-Imino-diethano-lato(2-)-κO,N,O'][4-(meth-oxy-carbonyl-meth-yl)phen-yl]boron.	2010 Sep 30	21587617

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:51:20 GMT 2023` Edited by `admin` on `Fri Dec 15 16:51:20 GMT 2023`
Record UNII	D4PDC41X96
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL PHENYLACETATE

Systematic Name

English

METHYL BENZENEETHANOATE

Systematic Name

English

METHYL PHENYLETHANOATE

Systematic Name

English

FEMA NO. 2733

Code

English

BENZENEACETIC ACID, METHYL ESTER

Common Name

English

PHENYLACETIC ACID METHYL ESTER [MI]

Common Name

English

METHYL PHENYLACETATE [FCC]

Common Name

English

NSC-9405

Code

English

Methyl-2-phenylacetate

Systematic Name

English

METHYL PHENYLACETATE [FHFI]

Common Name

English

PHENYLACETIC ACID METHYL ESTER

Systematic Name

English

ACETIC ACID, PHENYL-, METHYL ESTER

Common Name

English

METHYL BENZENEACETATE

Systematic Name

English

NSC-401667

Code

English

Classification Tree Code System Code

JECFA EVALUATION

METHYL PHENYLACETATE