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253022

(S)-(+)-O-Acetylmandelic acid

Name: (<I>S</I>)-(+)-<I>O</I>-Acetylmandelic acid
Brand: ALDRICH

99%

Synonym(s):

(S)-(+)-α-Acetoxyphenylacetic acid

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About This Item

Linear Formula:

CH₃CO₂CH(C₆H₅)CO₂H

CAS Number:

7322-88-5

Molecular Weight:

194.18

UNSPSC Code:

12352108

NACRES:

NA.22

PubChem Substance ID:

24855255

MDL number:

MFCD00064215

Beilstein/REAXYS Number:

2694109

Assay:

99%

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Properties

assay

99%

optical activity

[α]28/D +153°, c = 2 in acetone

optical purity

ee: 98% (GLC)

mp

97-99 °C (lit.)

functional group

carboxylic acid, ester, phenyl

SMILES string

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

InChI

1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1

InChI key

OBCUSTCTKLTMBX-VIFPVBQESA-N

Description

Application

The (R)- and (S)-isomers are chiral derivatizing agents for NMR determination of enantiomeric purity of α-deuterated carboxylic acids, alcohols, and amines.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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