Name: Methyl (<I>S</I>)-(+)-3-hydroxybutyrate
Brand: ALDRICH

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About This Item

Linear Formula:

CH₃CH(OH)CH₂CO₂CH₃

CAS Number:

53562-86-0

Molecular Weight:

118.13

Beilstein/REAXYS Number:

6367546

EC Number:

258-628-8

MDL number:

MFCD00064461

UNSPSC Code:

12352108

PubChem Substance ID:

24854602

NACRES:

NA.22

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assay

99%

form

liquid

optical activity

[α]20/D +19.8°, neat

optical purity

ee: 98% (GLC)

refractive index

n20/D 1.421 (lit.)

bp

63 °C/10 mmHg (lit.)

density

1.071 g/mL at 25 °C (lit.)

functional group

ester
hydroxyl

SMILES string

COC(=O)C[C@H](C)O

InChI

1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1

InChI key

LDLDJEAVRNAEBW-BYPYZUCNSA-N

Application

Methyl (S)-(+)-3-hydroxybutyrate may be used as an intermediate in the synthesis of (-)-methyl elenolate.

Optically active starting material

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

163.4 °F - closed cup

flash_point_c

73 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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