V900253
(±)-1,3-Butanediol
Vetec™, reagent grade, 98%
Synonym(s):
1,3-Butylene glycol
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About This Item
Linear Formula:
CH3CH(OH)CH2CH2OH
CAS Number:
Molecular Weight:
90.12
Beilstein:
1731276
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
grade
reagent grade
vapor density
3.1 (20 °C, vs air)
vapor pressure
0.06 mmHg ( 20 °C)
product line
Vetec™
Assay
98%
form
viscous liquid
autoignition temp.
741 °F
expl. lim.
0.34-6.3 % (lit.)
refractive index
n20/D 1.44 (lit.)
pH
6.0-7.0 (20 °C)
bp
203-204 °C (lit.)
mp
-54 °C (lit.)
density
1.005 g/mL at 25 °C (lit.)
SMILES string
CC(O)CCO
InChI
1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChI key
PUPZLCDOIYMWBV-UHFFFAOYSA-N
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Legal Information
Vetec is a trademark of Merck KGaA, Darmstadt, Germany
Storage Class Code
10 - Combustible liquids
WGK
WGK 1
Flash Point(F)
226.4 °F - closed cup
Flash Point(C)
108 °C - closed cup
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Tamara Kujawska et al.
Ultrasonics, 51(8), 997-1005 (2011-07-05)
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
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
Su Jeong Kim et al.
Nucleosides, nucleotides & nucleic acids, 22(11), 2003-2011 (2003-12-19)
Two optically active phosphoramidite monomers for modified oligodeoxyribonucleotides were prepared. These monomers were then introduced into dodecanucleotides in the middle of the sequences. The modified dodecanucleotides were characterized by various analytical methods including MALDI-TOF mass spectrometry and Tm values were
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.
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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