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78239

(R)-3-Phenylbutyric acid

≥98.5% (sum of enantiomers, GC)

Synonym(s):

(R)-β-Methylhydrocinnamic acid

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About This Item

Empirical Formula (Hill Notation):
C10H12O2
CAS Number:
772-14-5
Molecular Weight:
164.20
UNSPSC Code:
12352002
NACRES:
NA.22
PubChem Substance ID:
57652734
MDL number:
MFCD00077841
Beilstein/REAXYS Number:
2501477
Assay:
≥98.5% (sum of enantiomers, GC)
Form:
liquid
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Quality Segment

200

assay

≥98.5% (sum of enantiomers, GC)

form

liquid

optical activity

[α]20/D −57±2°, c = 1% in benzene

refractive index

n20/D 1.517

bp

94-95 °C/0.3 mmHg (lit.)

density

1.069 g/mL at 20 °C (lit.)

functional group

carboxylic acid, phenyl

SMILES string

C[C@H](CC(O)=O)c1ccccc1

InChI

1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1

InChI key

ZZEWMYILWXCRHZ-MRVPVSSYSA-N

Other Notes

Chiral standard. Chiral building block for the synthesis of the corresponding alcohol, amide and olefin; Stereoselective α-amination via Evans′ imide enolate

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

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