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2,5-Hexanediol

Catalog Number
ACM2935446
Product Name
2,5-Hexanediol
Structure
CAS
2935-44-6
Category
Monomers
Synonyms
Diisopropanol
Description
COLOURLESS LIQUID.
IUPAC Name
hexane-2,5-diol
Molecular Weight
118.17
Molecular Formula
C6H14O2
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
216 °C
Melting Point
43 °C
Flash Point
101 °C
Purity
98%
Density
Relative density (water = 1): 0.97
Solubility
Solubility in water: freely soluble
Complexity
47
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
220-910-3
Exact Mass
118.0993
Formal Charge
0
Heavy Atom Count
8
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
ICSC Number
0280
Isotope Atom Count
0
Log P
0.62 (estimated)
MeSH Entry Terms
2,5-hexanediol
Monoisotopic Mass
118.0993
NSC Number
3699
Refractive Index
1.447
Rotatable Bond Count
3
RTECS Number
MO2275000
Topological Polar Surface Area
40.5 Ų
Vapor Density
Relative vapor density (air = 1): 4.1
XLogP3
0.4
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