240559
1,4-Butanediol
ReagentPlus®, ≥99%
Synonym(s):
1,4-Butylene glycol, Tetramethylene glycol
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About This Item
Linear Formula:
HO(CH2)4OH
CAS Number:
Molecular Weight:
90.12
Beilstein:
1633445
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
vapor density
3.1 (vs air)
Quality Level
product line
ReagentPlus®
Assay
≥99%
autoignition temp.
698 °F
refractive index
n20/D 1.445 (lit.)
bp
230 °C (lit.)
mp
16 °C (lit.)
density
1.017 g/mL at 25 °C (lit.)
SMILES string
OCCCCO
InChI
1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChI key
WERYXYBDKMZEQL-UHFFFAOYSA-N
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General description
1,4-Butanediol is an industrial solvent that is mainly used in the preparation of important polymers such as polyurethanes and polybutylene terephthalate (PET).
Application
1,4-Butanediol may be used in the preparation of 3-buten-1-ol and tetrahydrofuran via dehydration. It may also be used as a reducing agent for carbonyl compounds to form the corresponding alcohols via transfer hydrogenation reaction.
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - STOT SE 3
Target Organs
Central nervous system
Storage Class Code
10 - Combustible liquids
WGK
WGK 1
Flash Point(F)
273.2 °F - closed cup
Flash Point(C)
134 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Kinetics and mechanism of tetrahydrofuran synthesis via 1, 4-butanediol dehydration in high-temperature water
Hunter SE, et al.
The Journal of Organic Chemistry, 71(16), 6229-6239 (2006)
Dehydration of 1,4-butanediol into 3-buten-1-ol catalyzed by ceria.
Sato S, et al.
Catalysis Communications, 5(8), 397-400 (2004)
Reduction of aldehydes and ketones by transfer hydrogenation with 1, 4-butanediol.
Maytum HC, et al.
Organic Letters, 9(21), 4387-4389 (2007)
New diol processes: 1, 3-propanediol and 1, 4-butanediol
Haas T, et al.
Applied Catalysis A: General, 280(1), 83-88 (2005)
Anders Hamberg et al.
Chemical communications (Cambridge, England), 48(80), 10013-10015 (2012-09-05)
The enzyme Candida antarctica lipase B was subjected to site directed mutagenesis suggested by molecular modelling. The selectivity for the enzyme increased towards a range of diols over their corresponding monoesters as an effect of the mutations.
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