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Sigma-Aldrich

(R)-(−)-1,3-Butanediol

95%

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About This Item

Linear Formula:
CH3CH(OH)CH2CH2OH
CAS Number:
6290-03-5
Molecular Weight:
90.12
Beilstein/REAXYS Number:
1718944
EC Number:
228-532-0
MDL number:
MFCD00064277
UNSPSC Code:
12352001
PubChem Substance ID:
24854257
NACRES:
NA.22

vapor density

3.1 (vs air)

Quality Level

100

vapor pressure

0.06 mmHg ( 20 °C)

assay

95%

form

liquid

optical activity

[α]21/D −31.0°, c = 1 in ethanol

optical purity

ee: 95% (GLC)

autoignition temp.

741 °F

bp

107-110 °C/23 mmHg (lit.)

density

1.005 g/mL at 25 °C (lit.)

SMILES string

C[C@@H](O)CCO

InChI

1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1

InChI key

PUPZLCDOIYMWBV-SCSAIBSYSA-N

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Storage Class

10 - Combustible liquids

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An asymmetric hydrogen-transfer biocatalyst consisting of mutated Rhodococcus phenylacetaldehyde reductase (PAR) or Leifsonia alcohol dehydrogenase (LSADH) was applied for some water-soluble ketone substrates. Among them, 4-hydroxy-2-butanone was reduced to (S)/(R)-1,3-butanediol, a useful intermediate for pharmaceuticals, with a high yield and
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