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240559

Sigma-Aldrich

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:
110-63-4
Molecular Weight:
90.12
Beilstein:
1633445
EC Number:
203-786-5
MDL number:
MFCD00002968
UNSPSC Code:
12352100
PubChem Substance ID:
24854421
grade:
reagent
bp:
230 °C (lit.)

grade

reagent

Quality Level

100

vapor density

3.1 (vs air)

product line

ReagentPlus®

Assay

≥99%

autoignition temp.

698 °F

dilution

(for general lab use)

refractive index

n20/D 1.445 (lit.)

bp

230 °C (lit.)

mp

16 °C (lit.)

density

1.017 g/mL at 25 °C (lit.)

functional group

hydroxyl

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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
MKBH4476V
STBB6542
S78138
S40953
09221DZ

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New diol processes: 1, 3-propanediol and 1, 4-butanediol
Haas T, et al.
Applied Catalysis A: General, 280(1), 83-88 (2005)
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)
Reduction of aldehydes and ketones by transfer hydrogenation with 1, 4-butanediol.
Maytum HC, et al.
Organic Letters, 9(21), 4387-4389 (2007)
Dehydration of 1,4-butanediol into 3-buten-1-ol catalyzed by ceria.
Sato S, et al.
Catalysis Communications, 5(8), 397-400 (2004)
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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Protocols

GC Analysis of Glycols on Nukol™

99%; Glycerol, ≥99.5%; Tetraethylene glycol, 99%

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