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3-Hexyn-2,5-diol

Basic information Safety Supplier Related

3-Hexyn-2,5-diol Basic information

Product Name:
3-Hexyn-2,5-diol
Synonyms:
  • BIS(1-HYDROXYETHYL)ACETYLENE
  • 3-HEXYNE-2,5-DIOL, DL AND MESO
  • 3-HEXYNE-2,5-DIOL
  • 3-hexyn-2,5-diol
  • Di(1-hydroxyethyl)acetylene
  • 3-hexyne-2,5-diol, mixture of (+/-)-and meso
  • hex-3-yne-2,5-diol
  • 3-HEXYNE-2,5-DIOL, 97%, MIXTURE OF (+/-) -AND MESO ISOMERS
CAS:
3031-66-1
MF:
C6H10O2
MW:
114.14
EINECS:
221-209-5
Product Categories:
  • Acetylenes
  • Acetylenic Alcohols & Their Derivatives
  • Alcohols
  • Monomers
  • Polymer Science
Mol File:
3031-66-1.mol
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3-Hexyn-2,5-diol Chemical Properties

Melting point:
42 °C(lit.)
Boiling point:
121 °C15 mm Hg(lit.)
Density 
1.009 g/mL at 25 °C(lit.)
vapor pressure 
0.1Pa at 20℃
refractive index 
n20/D 1.473(lit.)
Flash point:
>230 °F
storage temp. 
2-8°C
solubility 
Chloroform (Slightly), Methanol (Slightly)
form 
Oil
pka
12.80±0.20(Predicted)
color 
Pale Yellow
BRN 
1720667
LogP
-0.24 at 25℃
CAS DataBase Reference
3031-66-1(CAS DataBase Reference)
NIST Chemistry Reference
3-Hexyne-2,5-diol(3031-66-1)
EPA Substance Registry System
3-Hexyne-2,5-diol (3031-66-1)
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Safety Information

Hazard Codes 
T
Risk Statements 
25-36
Safety Statements 
26-36/37/39-45
RIDADR 
UN 2811 6.1/PG 3
WGK Germany 
2
RTECS 
MR0175000
HazardClass 
6.1(b)
PackingGroup 
III
Toxicity
mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 378, 1952.

MSDS

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3-Hexyn-2,5-diol Usage And Synthesis

Description

3-Hexyne-2,5-diol is a more or less solid yellow mass of crystals depending on the relative content of the meso form. It is miscible with water and polar solvents. 3-Hexyne-2,5-diol is produced by BASF from acetylene and acetaldehyde by the Reppe ethynylation method.

Uses

3-Hexyne-2,5-diol is used in the synthesis of hyperbrancehed poly([1,2,3]-triazoles. Also used in the synthesis of pyrazoles and thiopyrazoles.

Application

3-Hexyne-2,5-diol is used in nickel process baths as a brightener. It is the starting material for production of pyrroles and of 2,5-hexanediol, as well as in the production of 4-hydroxy-2,5-dimethyl-3-(2H)-furanone, trade name Furaneol, used as pineapple and strawberry flflavor.

Flammability and Explosibility

Non flammable

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