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Merck
CN

240559

1,4-Butanediol

≥99%, suitable for synthesis, ReagentPlus®

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
UNSPSC Code:
12352100
PubChem Substance ID:
24854421
EC Number:
203-786-5
Beilstein/REAXYS Number:
1633445
MDL number:
MFCD00002968
Assay:
≥99%
Bp:
230 °C (lit.)

Key Documents

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Product Name

1,4-Butanediol, ReagentPlus®, ≥99%

InChI key

WERYXYBDKMZEQL-UHFFFAOYSA-N

InChI

1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2

SMILES string

OCCCCO

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

Quality Level

100

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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.

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).

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H336

Hazard Classifications

Acute Tox. 4 Oral - STOT SE 3

target_organs

Central nervous system

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

273.2 °F - closed cup

flash_point_c

134 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBH4476V
STBB6542
S78138
S40953
09221DZ

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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)
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)
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

利用 Nukol™ 对乙二醇类进行气相色谱分析

99%；甘油，≥99.5%；四甘醇，99%

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