Results for:
PubChem ID: 7559

Methyl 2-phenylacetate

Mass-Spectra

Compound Details

Synonymous names	Methyl benzeneethanoate Methyl benzeneacetate Methyl phenylethanoate METHYL PHENYLACETATE CRZQGDNQQAALAY-UHFFFAOYSA-N Phenylacetic acid methyl Methyl benzene acetate Methyl phenylacetate, analytical standard Methyl alpha-toluate methyl phenyl acetate Phenylacetic Acid Methyl Ester alpha-phenylacetic acid methyl ester AC1Q5ZUJ Methyl 2-phenylacetate benzene acetic acid methyl ester Benzeneacetic acid, methyl ester phenyl acetic acid methyl ester Phenyl-acetic acid methyl ester Phenylacetic acid, methyl ester AC1L1P1D Methyl 2-phenyl acetate 2-Phenylacetic acid methyl ester SCHEMBL4675 Methyl alpha-toluate; Phenylacetic acid methyl ester KSC175C1T NSC9405 Methyl .alpha.-toluate CTK0H5119 D4PDC41X96 P0125 EBD50083 WLN: 1OV1R RP17360 ZINC388061 UNII-D4PDC41X96 BBL010506 DTXSID1044352 NSC-9405 NSC401667 OR034300 AK163377 SBB058223 STL146152 ZB011258 LS-2954 CHEMBL3189123 ACMC-2097v7 CJ-03094 SC-26761 ANW-14465 DSSTox_GSID_44352 AN-24576 AB1011175 KB-54814 MFCD00008453 DSSTox_CID_24352 ZINC00388061 BB_SC-7169 DSSTox_RID_80161 AI3-01971 RTR-000377 Acetic acid, phenyl-, methyl ester NSC-401667 NSC 401667 ST24047740 ST50824226 TR-000377 Methyl phenylacetate, ReagentPlus(R), >=99% I14-7331 AKOS000119976 FT-0653159 TRA-0184135 FEMA No. 2733 Tox21_300792 Methyl phenylacetate, >=98%, FCC, FG 101-41-7 Methyl phenylacetate, Vetec(TM) reagent grade, 98% MCULE-9593207528 NCGC00254696-01 NCGC00248170-01 EINECS 202-940-9 CAS-101-41-7 EC 202-940-9 MolPort-001-788-281 InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H
Microorganism:	Yes
IUPAC name	methyl 2-phenylacetate
SMILES	COC(=O)CC1=CC=CC=C1
Inchi	InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
Formula	C9H10O2
PubChem ID	7559
Molweight	150.177
LogP	1.76
Atoms	21
Bonds	21
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	benzenoids esters

mVOC Specific Details

MS-Links	MS-MS Spectrum 121204 MS-MS Spectrum 48157 MS-MS Spectrum 121205 MS-MS Spectrum 48158 MS-MS Spectrum 48156 MS-MS Spectrum 121203
1D-NMR-Links	1D NMR Spectrum 4020 1D NMR Spectrum 3763

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Mycobacterium Tuberculosis n/a Respiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand) Syhre et al., 2008 Fungi Antrodia Camphorata Chiang et al. 2013 Fungi Antrodia Cinnamomea Chen et al. 2007 Fungi Gleophyllum Odoratum na Sachsenwald near Hamburg Rösecke et al., 2000 Fungi Gloeophyllum Odoratum Kahlos et al. 1994 Bacteria Salinispora Tropica CNB-440 na marine sediment Groenhagen et al., 2016

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Mycobacterium Tuberculosis Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MP Solid phase micro-extraction (SPME), GC/MS-MS Fungi Antrodia Camphorata no Fungi Antrodia Cinnamomea no Fungi Gleophyllum Odoratum na GC/MS No Fungi Gloeophyllum Odoratum no Bacteria Salinispora Tropica CNB-440 seawater-based A1 GC/MS