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Merck

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:
107-88-0
Molecular Weight:
90.12
EC Number:
203-529-7
UNSPSC Code:
12352001
PubChem Substance ID:
329747706
Beilstein/REAXYS Number:
1731276
MDL number:
MFCD00004554

Key Documents

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InChI key

PUPZLCDOIYMWBV-UHFFFAOYSA-N

InChI

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

SMILES string

CC(O)CCO

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.)

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Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

226.4 °F - closed cup

flash_point_c

108 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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Certificates of Analysis (COA)

Lot/Batch Number
A7556
A2124
A1936
A0666
A7470

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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
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
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
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
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