253022

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

99%

• Synonym(s): (S)-(+)-α-Acetoxyphenylacetic acid
• Linear Formula: CH₃CO₂CH(C₆H₅)CO₂H
• CAS Number: 7322-88-5
• Molecular Weight: 194.18
• Beilstein: 2694109
• MDL number: MFCD00064215
• UNSPSC Code: 12352108
• PubChem Substance ID: 24855255
• NACRES: NA.22

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.

Safety Information

• 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