253022
(S)-(+)-O-Acetylmandelic acid
99%
Synonym(s):
(S)-(+)-α-Acetoxyphenylacetic acid
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About This Item
Linear Formula:
CH3CO2CH(C6H5)CO2H
CAS Number:
Molecular Weight:
194.18
Beilstein:
2694109
MDL number:
UNSPSC Code:
12352108
PubChem Substance ID:
NACRES:
NA.22
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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
Application
The (R)- and (S)-isomers are chiral derivatizing agents for NMR determination of enantiomeric purity of α-deuterated carboxylic acids, alcohols, and amines.[1]
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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J. Chem. Soc. Perkin Trans. II, 83-83 (1983)
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