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8.01964

Sigma-Aldrich

1,3-Butanediol

for synthesis

Synonym(s):

(±)-1,3-Butanediol, 1,3-Butylene glycol

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About This Item

Linear Formula:
CH3CH(OH)CH2CH2OH
CAS Number:
Molecular Weight:
90.12
Beilstein/REAXYS Number:
1731276
MDL number:
UNSPSC Code:
12352104
EC Index Number:
203-529-7
NACRES:
NA.22

vapor density

3.1 (20 °C, vs air)

Quality Level

vapor pressure

0.06 mmHg ( 20 °C)

assay

≥99% (GC)

form

liquid

autoignition temp.

741 °F

potency

18610 mg/kg LD50, oral (Rat)
>20000 mg/kg LD50, skin (Rabbit)

expl. lim.

1.9-12.6 % (v/v)

refractive index

n20/D 1.44 (lit.)

pH

6.1 (20 °C, 500 g/L in H2O)

bp

203-204 °C (lit.)

mp

-57 °C

transition temp

flash point 115 °C

solubility

>500 g/L (miscible)

density

1.005 g/mL at 25 °C (lit.)

storage temp.

2-30°C

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

  • Process design for acidic and alcohol based deep eutectic solvent pretreatment and high pressure homogenization of palm bunches for nanocellulose: Studies DES based on ChCl and 1,3-butanediol, offering insights into process optimizations for clear solution preparation (Sonyeam et al., 2024).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.003 - 1.005
Water (K. F.): ≤ 0.50 %
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

pictograms

Exclamation mark

signalword

Warning

hcodes

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


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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