Structure

2,5-Hexanediol

CAS
2935-44-6
Catalog Number
ACM-MO-2935446
Category
Other Products; Diol Monomers
Molecular Weight
118.18 g/mol
Molecular Formula
C6H14O2

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Specification

Description
COLOURLESS LIQUID.
Synonyms
2,5-Dihydroxyhexane
IUPAC Name
hexane-2,5-diol
Canonical SMILES
CC(CCC(C)O)O
InChI
InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3
InChI Key
OHMBHFSEKCCCBW-UHFFFAOYSA-N
Boiling Point
221 °C
Melting Point
43 °C
Flash Point
110 °C
Density
Relative density (water = 1): 0.97
Solubility
Solubility in water: freely soluble
Appearance
Colorless to Light Orange to Yellow Clear Liquid
Autoignition Temperature
490 °C
Complexity
47
Condition To Avoid
Hygroscopic
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
220-910-3
Exact Mass
118.0993
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
8
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
ICSC Number
0280
Isotope Atom Count
0
LogP
0.62 (estimated)
Monoisotopic Mass
118.0993
NSC Number
3699
Physical State
Liquid
Refractive Index
1.45
Rotatable Bond Count
3
RTECS Number
MO2275000
Specific Gravity
0.96
Topological Polar Surface Area
40.5 Ų
Vapor Density
Relative vapor density (air = 1): 4.1
XLogP3
0.4
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