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309443

Sigma-Aldrich

(±)-1,3-Butanediol

anhydrous, ≥99%

Synonym(s):

1,3-Butylene glycol

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About This Item

Linear Formula:
CH3CH(OH)CH2CH2OH
CAS Number:
Molecular Weight:
90.12
Beilstein:
1731276
EC Number:
MDL number:
UNSPSC Code:
12352001
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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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.

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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6-methoxy-2-benzoxazolinone synthesis in 1,3-butanediol.
Richey JD, et al.
Agricultural and Biological Chemistry, 40(12), 2413-2416 (1976)
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
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)
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)

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