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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:
107-88-0
Molecular Weight:
90.12
Beilstein/REAXYS Number:
1731276
EC Number:
203-529-7
MDL number:
MFCD00004554
UNSPSC Code:
12352001
PubChem Substance ID:
57648493
NACRES:
NA.21

grade

anhydrous

Quality Level

100

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

Hazard Classifications

Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

226.4 °F - closed cup

flash_point_c

108 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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