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279889

Sigma-Aldrich

(S)-(+)-2-Phenylbutyric acid

99%

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About This Item

Linear Formula:
C2H5CH(C6H5)CO2H
CAS Number:
4286-15-1
Molecular Weight:
164.20
Beilstein/REAXYS Number:
2045208
MDL number:
MFCD00063164
UNSPSC Code:
12352002
PubChem Substance ID:
24856913
NACRES:
NA.22

Quality Level

100

assay

99%

optical activity

[α]19/D +92°, c = 0.9 in toluene

refractive index

n20/D 1.516 (lit.)

bp

98-100 °C/0.3 mmHg (lit.)

density

1.055 g/mL at 25 °C (lit.)

functional group

carboxylic acid
phenyl

SMILES string

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

InChI

1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m0/s1

InChI key

OFJWFSNDPCAWDK-VIFPVBQESA-N

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Application

Chiral building block. Resolving agent

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP7193
MKCG3918
MKBX8521V
MKBR6489V
03831JJ

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