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Merck
CN

18938

(S)-(+)-1,3-Butanediol

technical, ≥95% (sum of enantiomers, GC)

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About This Item

Linear Formula:
CH3CH(OH)CH2CH2OH
CAS Number:
24621-61-2
Molecular Weight:
90.12
EC Number:
246-363-0
UNSPSC Code:
12352000
PubChem Substance ID:
24851379
Beilstein/REAXYS Number:
1718943
MDL number:
MFCD00064278

Key Documents

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vapor density

3.1 (vs air)

vapor pressure

0.06 mmHg ( 20 °C)

grade

technical

assay

≥95% (sum of enantiomers, GC)

optical activity

[α]20/D +30±2°, c = 1% in ethanol

autoignition temp.

741 °F

refractive index

n20/D 1.440

bp

109 °C/14 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-/m0/s1

InChI key

PUPZLCDOIYMWBV-BYPYZUCNSA-N

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

249.8 °F - closed cup

flash_point_c

121 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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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
Biagio Velino et al.
The journal of physical chemistry. A, 115(34), 9585-9589 (2011-03-23)
The rotational spectra of five conformers of 1,3-butandiol have been measured by pulsed jet Fourier transform microwave spectroscopy. All of them are stabilized by an internal hydrogen bond and all of them have a GG' or a G'G arrangement of
Charles U Ugwu et al.
Bioresource technology, 102(12), 6766-6768 (2011-04-22)
Feasibility of producing (R)-3-hydroxybutyric acid ((R)-3-HB) using wild type Azohydromonas lata and its mutants (derived by UV mutation) was investigated. A. lata mutant (M5) produced 780 m g/l in the culture broth when sucrose was used as the carbon source.
Shogo Higaki et al.
The Journal of reproduction and development, 56(2), 212-218 (2009-12-10)
The feasibility of cryopreservation of zebrafish (Danio rerio) primordial germ cells (PGCs) by rapid cooling (i.e., vitrification) of dechorionated whole embryos at the 14- to 20-somite stage was investigated. Initially, we examined the glass-forming properties and embryo toxicities of six
Allergic contact dermatitis due to 1,3-butylene glycol and glycerol.
Risa Tamagawa-Mineoka et al.
Contact dermatitis, 56(5), 297-298 (2007-04-20)
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