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Key Documents

54958

Sigma-Aldrich

(+)-Methyl (S)-3-hydroxybutyrate

puriss., ≥99.0% (sum of enantiomers, GC)

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About This Item

Linear Formula:
CH3CHOHCH2CO2CH3
CAS Number:
Molecular Weight:
118.13
Beilstein/REAXYS Number:
6367546
EC Number:
MDL number:
UNSPSC Code:
12352108
PubChem Substance ID:

grade

puriss.

assay

≥99.0% (sum of enantiomers, GC)

optical activity

[α]20/D +50±2°, c = 1.3% in chloroform stab. with amylenes

optical purity

enantiomeric ratio: ≥98:2 (GC)

refractive index

n20/D 1.422

density

1.055 g/mL at 20 °C (lit.)

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

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, type ABEK (EN14387) respirator filter


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Xiao-Hong Chen et al.
PloS one, 9(4), e94543-e94543 (2014-04-18)
A novel carbonyl reductase (AcCR) catalyzing the asymmetric reduction of ketones to enantiopure alcohols with anti-Prelog stereoselectivity was found in Acetobacter sp. CCTCC M209061 and enriched 27.5-fold with an overall yield of 0.4% by purification. The enzyme showed a homotetrameric

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