3-METHYLPHENYLACETIC ACID

CAS No.
621-36-3
CCD No.
CCD00004162
Formula
C9 H10 O2
MolWeight
150.176

Basic Information

Product Name: 3-METHYLPHENYLACETIC ACID
CAS: 621-36-3
English Synonyms: 2-(M-TOLYL)ACETIC ACID ; MTAA ; M-TOLYLACETIC ACID ; 2-(3-METHYLPHENYL)ACETIC ACID ; METHYLL 3-METHYLPHENYLACETATE ; M-METHYLPHENYLACETIC ACID ; 3-TOLYLACETIC ACID ; 3-METHYLPHENYLACETIC ACID
MDL Number.: MFCD00004340
H bond acceptor: 2
H bond donor: 1
Smile: Cc1cccc(c1)CC(=O)O
InChi: InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChiKey: InChIKey=GJMPSRSMBJLKKB-UHFFFAOYSA-N

Property

Melting Point: 64-66 DEG C(LIT)
Comments: OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. T38091.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-37/39
WGK Germany: 3