03-4450
(±)-1,3-Butanediol
SAJ first grade, ≥98.0%
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:
12352001
PubChem Substance ID:
Recommended Products
grade
SAJ first grade
vapor density
3.1 (20 °C, vs air)
vapor pressure
0.06 mmHg ( 20 °C)
Assay
≥98.0%
form
liquid
autoignition temp.
741 °F
availability
available only in Japan
refractive index
n20/D 1.44 (lit.)
pH
6.0-7.0 (20 °C)
bp
203-204 °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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Storage Class Code
10 - Combustible liquids
WGK
WGK 1
Flash Point(F)
226.4 °F - closed cup
Flash Point(C)
108 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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
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
P A Pugh et al.
Animal reproduction science, 58(1-2), 9-22 (2000-03-04)
This study examined the effects of adding a macromolecule, polyvinylpyrrolidone (10% PVP) and a sugar (0.3 M trehalose) to vitrification solutions (VS) containing either one (40% ethylene glycol [EG], two (25% EG+25% DMSO) or three (20% EG+20% DMSO+10% 1, 3-butanediol
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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