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51019-43-3

51019-43-3 Structure

51019-43-3 Structure
IdentificationMore
[Name]

(-)-O-ACETYL-D-MANDELIC ACID
[CAS]

51019-43-3
[Synonyms]

(-)-O-ACETYL-D-MANDELIC ACID
(R)-(-)-ALPHA-ACETOXYPHENYLACETIC ACID
(R)-ALPHA-ACETOXYPHENYLACETIC ACID
(R)-(-)-O-ACETYLMANDELIC ACID
(R)-(+)-O-ACETYLMANDELIC ACID
(R)-(-)-alpha-Acetylmandelic acid, 99% (98% ee/GLC)
(R)-A-ACETOXYPHENYLACETIC ACID
R-0-ACETYLMANDELIC ACID
(r)-(-)-α-acetoxyphenylacetic acid
(r)-(-)-α-acetylmandelic acid
(R)-(-)-ALPHA-ACETOXYPHENYLACETIC ACID PURUM 98%
(-)-O-Acetyl-D-mandelic acid, (R)-(-)-α-Acetoxyphenylacetic acid
(-)-D-Mandelic acid acetate
(R)-α-Acetoxybenzeneacetic acid
[R,(-)]-α-(Acetyloxy)benzeneacetic acid
[EINECS(EC#)]

610-598-0
[Molecular Formula]

C10H10O4
[MDL Number]

MFCD00004249
[Molecular Weight]

194.18
[MOL File]

51019-43-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

97-99 °C(lit.)
[Boiling point ]

317.8±30.0 °C(Predicted)
[density ]

1.259±0.06 g/cm3(Predicted)
[refractive index ]

-153 ° (C=2, Acetone)
[storage temp. ]

2-8°C
[solubility ]

Soluble in methanol. (almost transparency)
[form ]

powder to crystal
[pka]

2.76±0.10(Predicted)
[color ]

White to Almost white
[Optical Rotation]

[α]20/D 152.4°, c = 2 in acetone
[BRN ]

2694110
[Cosmetics Ingredients Functions]

BUFFERING
[InChI]

InChI=1/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/s3
[InChIKey]

YCCSWLJUVZBEAS-SECBINFHSA-N
[SMILES]

[C@@H](C1C=CC=CC=1)(C(=O)O)OC(=O)C |&1:0,r|
[LogP]

1.780 (est)
[CAS DataBase Reference]

51019-43-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Risk Statements ]

36/37/38
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

29181990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

(R)-(-)-O-Acetylmandelic acid may be used as a precursor to prepare a chiral diamine, which is an intermediate to prepare Utenone A. It may also be used to prepare ethyl (2′R)-2′-acetoxy-2′-phenylethanoate.
[Uses]

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

(R)-(-)-O-Acetylmandelic acid is a chiral derivatizing agent for NMR determination of enantiomeric purity of α-deuterated carboxylic acids, alcohols, and amines.
[Purification Methods]

It crystallises from H2Owith 1mol of solvent which is removed on drying, or from other solvents as for the S-iso
Spectrum DetailBack Directory
[Spectrum Detail]

(-)-O-ACETYL-D-MANDELIC ACID(51019-43-3)MS
(-)-O-ACETYL-D-MANDELIC ACID(51019-43-3)1HNMR
(-)-O-ACETYL-D-MANDELIC ACID(51019-43-3)13CNMR
(-)-O-ACETYL-D-MANDELIC ACID(51019-43-3)IR1
(-)-O-ACETYL-D-MANDELIC ACID(51019-43-3)IR2
(-)-O-ACETYL-D-MANDELIC ACID(51019-43-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

51019-43-3(sigmaaldrich)
[TCI AMERICA]

(-)-O-Acetyl-D-mandelic Acid,>98.0%(T)(51019-43-3)
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