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309443

Sigma-Aldrich

(±)-1,3-Butanediol

anhydrous, ≥99%

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Synonym(s):
1,3-Butylene glycol
Linear Formula:
CH3CH(OH)CH2CH2OH
CAS Number:
Molecular Weight:
90.12
Beilstein:
1731276
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

grade

anhydrous

Quality Level

vapor density

3.1 (20 °C, vs air)

vapor pressure

0.06 mmHg ( 20 °C)

Assay

≥99%

form

liquid

autoignition temp.

741 °F

expl. lim.

0.34-6.3 %

impurities

<0.003% water
<0.005% water (100 mL pkg)

refractive index

n20/D 1.44 (lit.)

pH

6.0-7.0 (20 °C)

bp

203-204 °C (lit.)

mp

-54 °C

density

1.005 g/mL at 25 °C (lit.)

SMILES string

CC(O)CCO

InChI

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

InChI key

PUPZLCDOIYMWBV-UHFFFAOYSA-N

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1 of 4

This Item
B84785493732B84904
(±)-1,3-Butanediol anhydrous, &#8805;99%

309443

(±)-1,3-Butanediol

(±)-1,3-Butanediol ReagentPlus&#174;, 99.5%

B84785

(±)-1,3-Butanediol

1,4-Butanediol ReagentPlus&#174;, 99%

493732

1,4-Butanediol

2,3-Butanediol 98%

B84904

2,3-Butanediol

assay

≥99%

assay

≥99.45% (GC), 99.5%

assay

99%

assay

98%

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

200

form

liquid

form

liquid

form

solid or viscous liquid

form

liquid

vapor pressure

0.06 mmHg ( 20 °C)

vapor pressure

0.06 mmHg ( 20 °C)

vapor pressure

-

vapor pressure

-

autoignition temp.

741 °F

autoignition temp.

741 °F

autoignition temp.

698 °F

autoignition temp.

-

Application

(±)-1,3-Butanediol may be used as a solvent in the preparation of 6-methoxy-2-benzoxazolinone via condensation reaction between 2-hydroxy-4-methoxyphenyJarnmonium chloride and urea. It can also react with carboxylic acids to form the corresponding chlorohydrin esters in the presence of chlorotrimethylsilane.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

226.4 °F - closed cup

Flash Point(C)

108 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Kamarza Mulia et al.
Molecules (Basel, Switzerland), 24(3) (2019-02-15)
Mangosteen (Garcinia mangostana L.) is a fruit that is rich in xanthones, utilized as health supplements or additives in food products due to their high antioxidant activities. Choline chloride (ChCl)-based deep eutectic solvents (DESs) with polyalcohols (ethylene glycol, glycerol, propanediols
6-methoxy-2-benzoxazolinone synthesis in 1,3-butanediol.
Richey JD, et al.
Agricultural and Biological Chemistry, 40(12), 2413-2416 (1976)
Access to (S)-2-methyloxetane and the precursor (S)-1, 3-butanediol of high enantiomeric purity.
Hintzer K, et al.
The Journal of Organic Chemistry, 47(20), 3850-3854 (1982)
Optical resolution by vapour permeation of 1, 3-butanediol and 2-butanol through (+)-poly1-[dimethyl (10-pinanyl) silyl]-1-propyne membrane.
Shinohara KI, et al.
Polymer, 36(12), 2403-2405 (1995)
Influence of Carboxylic Acids on the Synthesis of Chlorohydrin Esters from 1, 3?Butanediol
Eras J, et al.
Synthetic Communications, 36(9), 1167-1175 (2006)

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