All Photos(3)

309443

Sigma-Aldrich

(±)-1,3-Butanediol

anhydrous, ≥99%

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

Quality Level

grade

anhydrous

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.

Packaging

1 L in Sure/Seal™
100 mL in Sure/Seal™

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

Certificate of Analysis

Certificate of Origin

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)
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)
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)

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