ChemicalBook--->CAS DataBase List--->20698-91-3

20698-91-3

20698-91-3 Structure

20698-91-3 Structure
IdentificationMore
[Name]

(R)-(-)-Methyl mandelate
[CAS]

20698-91-3
[Synonyms]

(-)-D-MANDELIC ACID METHYL ESTER
D-(-)-MANDELIC ACID METHYL ESTER
(-)-METHYL D-MANDELATE
METHYL D-(-)-MANDELATE
(-)-METHYL (R)-ALPHA-HYDROXYPHENYL ACETATE
METHYL (R)-ALPHA-HYDROXYPHENYLACETATE
METHYL (R)-(-)-MANDELATE
(R)-MANDELIC ACID METHYL ESTER
(R)-(-)-METHYL MANDELATE
METHYL (R)-(-)-MANDELATE, 99+%
R-MINUS-MANDELIC ACID METHYL ESTER
(R)-(-)-Methyl mandelate, 98+%
Benzeneacetic acid, .alpha.-hydroxy-, methyl ester, (.alpha.R)-
(-)-methyl (r)-α-hydroxyphenyl acetate
(-)-methyl (r)-α-hydroxyphenylacetate
(r)-(-)-à-hydroxyphenylacetic acid methyl ester
(-)-Methyl (R)-alpha-hydroxyphenylacetate
(-)-Methyl (R)-α-hydroxyphenylacetate, (-)-Methyl D-mandelate
(2R)-2-Hydroxy-2-phenylacetic acid methyl ester
(R)-2-Hydroxy-2-phenylacetic acid methyl ester
[EINECS(EC#)]

224-434-7
[Molecular Formula]

C9H10O3
[MDL Number]

MFCD00064247
[Molecular Weight]

166.17
[MOL File]

20698-91-3.mol
Chemical PropertiesBack Directory
[Appearance]

white powder
[Melting point ]

56-58 °C
[alpha ]

-146 º (c=2, MeOH)
[Boiling point ]

234.38°C (rough estimate)
[density ]

1.1097 (rough estimate)
[refractive index ]

1.4371 (estimate)
[Fp ]

>110°C
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Sparingly, Sonicated)
[form ]

Solid
[pka]

12.19±0.20(Predicted)
[color ]

White to Off-White
[Optical Rotation]

[α]20/D 144.0°, c = 1 in methanol
[BRN ]

3589447
[InChI]

1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m1/s1
[InChIKey]

ITATYELQCJRCCK-MRVPVSSYSA-N
[SMILES]

COC(=O)[C@H](O)c1ccccc1
[CAS DataBase Reference]

20698-91-3(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

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

3
[HS Code ]

29181990
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Uses]

Methyl (R)-(-)-Mandelate is used in the synthesis of (-)-Maoecrystal V, an ent-kauranoid analogue with selective and potent cytotoxic activity.
[General Description]

Optically active building block.
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(-)-Methyl mandelate(20698-91-3)1HNMR
(R)-(-)-Methyl mandelate(20698-91-3)IR
(R)-(-)-Methyl mandelate(20698-91-3)FT-IR
(R)-(-)-Methyl mandelate(20698-91-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(R)-(-)-Methyl mandelate, 98+%(20698-91-3)
[Alfa Aesar]

Methyl (R)-(-)-mandelate, 99%(20698-91-3)
[Sigma Aldrich]

20698-91-3(sigmaaldrich)
[TCI AMERICA]

Methyl D-(-)-Mandelate,>98.0%(GC)(20698-91-3)
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