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240559

Sigma-Aldrich

1,4-Butanediol

ReagentPlus®, ≥99%

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Synonym(s):
1,4-Butylene glycol, Tetramethylene glycol
Linear Formula:
HO(CH2)4OH
CAS Number:
110-63-4
Molecular Weight:
90.12
Beilstein:
1633445
EC Number:
203-786-5
MDL number:
MFCD00002968
UNSPSC Code:
12352100
PubChem Substance ID:
24854421

vapor density

3.1 (vs air)

Quality Level

100

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H336

Hazard Classifications

Acute Tox. 4 Oral - STOT SE 3

Target Organs

Central nervous system

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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)
New diol processes: 1, 3-propanediol and 1, 4-butanediol
Haas T, et al.
Applied Catalysis A: General, 280(1), 83-88 (2005)
Reduction of aldehydes and ketones by transfer hydrogenation with 1, 4-butanediol.
Maytum HC, et al.
Organic Letters, 9(21), 4387-4389 (2007)
Sandra Rinne Dahl et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 885-886, 37-42 (2012-01-10)
The demand of high throughput methods for the determination of gamma-hydroxybutyrate (GHB) and its precursors gamma-butyrolactone (GBL) and 1,4-butane-diol (1,4BD) as well as for pregabalin is increasing. Here we present two analytical methods using ultra-high pressure liquid chromatography (UPLC) and
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