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78239

Sigma-Aldrich

(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
Beilstein:
2501477
MDL number:
MFCD00077841
UNSPSC Code:
12352002
PubChem Substance ID:
57652734
NACRES:
NA.22

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

Storage Class Code

10 - Combustible liquids

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. Bussas et al.
The Journal of Organic Chemistry, 48, 2828-2828 (1983)
R. Dharanipragada et al.
Tetrahedron Letters, 30, 6841-6841 (1989)
T. Kogure et al.
The Journal of Organic Chemistry, 49, 576-576 (1984)
D.J. Cram
Journal of the American Chemical Society, 74, 2137-2137 (1952)

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