3-PHENYLBUTYRIC ACID

CAS No.
4593-90-2
CCD No.
CCD00002645
Formula
C10H12O2
MolWeight
164.203

Basic Information

Product Name: 3-PHENYLBUTYRIC ACID
CAS: 4593-90-2
English Synonyms: 3-PHENYLBUTANOIC ACID ; ZERENEX ZX-OA000693 ; EMOLECULES 479201 ; (+/-)-BETA-METHYLHYDROCINNAMIC ACID ; ATTERCOP-CHM AT127465 ; 3-PHENYLBUTYRIC ACID ; OTAVA-BB 1042017 ; ZYLEXA-PHARM ZP-TV000693 ; RARECHEM AL BE 0683 ; (+/-)-3-PHENYLBUTYRIC ACID
MDL Number.: MFCD00002725
H bond acceptor: 2
H bond donor: 1
Smile: C1(=CC=CC=C1)C(CC(=O)O)C
InChi: InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChiKey: InChIKey=ZZEWMYILWXCRHZ-UHFFFAOYSA-N

Property

Melting Point: 35-38 DEG C(LIT)
Boiling Point: 170-172 DEG C/20 MMHG(LIT)
Density: 1.515g/mLat25°C(lit.)
Physical Property: FLASHPOINT: 110 DEG C
FLASHPOINT: 230 DEG F
Comments: OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. 116807.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

WGK Germany: 3

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