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
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
Condition To Avoid
Hygroscopic
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
Monoisotopic Mass
118.0993
Topological Polar Surface Area
40.5 Ų
Vapor Density
Relative vapor density (air = 1): 4.1