Catalog Number
ACMA00017271
Product Name
1,4-Cyclohexanedimethanol
Description
OtherSolid; WetSolid
IUPAC Name
[4-(hydroxymethyl)cyclohexyl]methanol
Molecular Weight
144.21g/mol
Canonical SMILES
C1CC(CCC1CO)CO
InChI
InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2
InChI Key
YIMQCDZDWXUDCA-UHFFFAOYSA-N
Boiling Point
285.0 °C;286 °C (cis-isomer), 283 °C (trans-isomer)
Melting Point
51.0 °C;43 °C (cis-isomer), 67 °C (trans-isomer)
Density
1.0381 at 25 °C/4 °C
Solubility
In water, 920,000 mg/L at 20 °C;Solluble in ethyl alcohol
Color/Form
Liquid;White waxy solid
Covalently-Bonded Unit Count
1
Log P
log Kow = 1.14 /Estimated by Experimental Value Adjustment method using cyclohexanediol/
MeSH Entry Terms
1,4-cyclohexanedimethanol;cyclohexanedimethanol
Monoisotopic Mass
144.11503g/mol
Odor
Sweet (1,3/1,4-cyclohexanedimethanol mixture);Mild hydrocarbon odor
Other Experimental
Henry's Law constant = 6.4X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.1X10-11 cu cm/molec-sec at 25 °C (est)
Refractive Index
Index of refraction: 1.4893 at 20 °C/D
UNII
47A69Y3G5M;7I8476P8P0
Vapor Pressure
3.08e-04 mmHg;3.08X10-4 mm Hg at 25 °C
Viscosity
877 cP at 50 °C, supercooled