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237612

Sigma-Aldrich

(R)-(−)-1,3-Butanediol

95%

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About This Item

Linear Formula:
CH3CH(OH)CH2CH2OH
CAS Number:
Molecular Weight:
90.12
Beilstein/REAXYS Number:
1718944
EC Number:
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
NACRES:
NA.22

vapor density

3.1 (vs air)

Quality Level

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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This work addresses the difficulties in the measurements of the nonlinear medium parameter B/A and presents a modification of the finite amplitude method (FAM), one of the accepted procedures to determine this parameter. The modification is based on iterative, hybrid
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Naoki Oiso et al.
Contact dermatitis, 51(1), 40-41 (2004-08-05)
Mário T S Rosado et al.
The journal of physical chemistry. A, 113(26), 7499-7507 (2009-04-25)
The complete conformational space of monomeric 1,3-butanediol has been characterized theoretically, and 73 unique stable conformers were found at the MP2/6-311++G(d,p) level. These were classified into nine families whose members share the same heavy atom backbone configurations and differ in
Q Wu et al.
Guang pu xue yu guang pu fen xi = Guang pu, 20(5), 612-613 (2003-08-30)
In the present paper, we studied the surface structure effect of Pt electrode modified with antimony and sulfur adatoms towards 1,3-Butanediol oxidation. The results demonstrated that the modification of Sb and S both inhibited the dissociative adsorption of 1,3-Butanediol into
Nobuya Itoh et al.
Applied microbiology and biotechnology, 75(6), 1249-1256 (2007-04-20)
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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