78239
(R)-3-Phenylbutyric acid
≥98.5% (sum of enantiomers, GC)
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Synonym(s):
(R)-β-Methylhydrocinnamic acid
Empirical Formula (Hill Notation):
C10H12O2
CAS Number:
Molecular Weight:
164.20
Beilstein:
2501477
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:
NACRES:
NA.22
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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.)
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
Related Categories
Other Notes
Chiral standard. Chiral building block for the synthesis of the corresponding alcohol, amide and olefin; Stereoselective α-amination via Evans′ imide enolate
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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R. Dharanipragada et al.
Tetrahedron Letters, 30, 6841-6841 (1989)
D.J. Cram
Journal of the American Chemical Society, 74, 2137-2137 (1952)
T. Kogure et al.
The Journal of Organic Chemistry, 49, 576-576 (1984)
R. Bussas et al.
The Journal of Organic Chemistry, 48, 2828-2828 (1983)
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