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279889

Sigma-Aldrich

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

99%

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Linear Formula:
C2H5CH(C6H5)CO2H
CAS Number:
Molecular Weight:
164.20
Beilstein/REAXYS Number:
2045208
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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.)

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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379093346802248983
(S)-(+)-2-Phenylbutyric acid 99%

279889

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

Quality Level

100

Quality Level

200

Quality Level

100

Quality Level

100

density

1.055 g/mL at 25 °C (lit.)

density

-

density

-

density

-

bp

98-100 °C/0.3 mmHg (lit.)

bp

124-125 °C/13 mmHg (lit.)

bp

-

bp

-

refractive index

n20/D 1.516 (lit.)

refractive index

-

refractive index

-

refractive index

-

optical activity

[α]19/D +92°, c = 0.9 in toluene

optical activity

[α]20/D +19°, c = 1 in chloroform

optical activity

[α]20/D −114°, c = 1 in 1 M HCl

optical activity

[α]17/D +150°, c = 1 in ethanol

Application

Chiral building block. Resolving agent

pictograms

Exclamation mark

signalword

Warning

hcodes

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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