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1,4-Cyclohexanedimethanol

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Catalog NumberACMA00017271

CategoryPolymers

Description
OtherSolid; WetSolid
IUPAC Name
[4-(hydroxymethyl)cyclohexyl]methanol
Molecular Weight
144.21g/mol
Molecular Formula
C8H16O2
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)
Flash Point
330 °F OC
Density
1.0381 at 25 °C/4 °C
Solubility
In water, 920,000 mg/L at 20 °C;Solluble in ethyl alcohol
Application
1,4-Cyclohexanedimethanol serves as a versatile precursor in the production of various polyester materials and applications. This compound, which appears as a white waxy solid or a clear, colorless viscous liquid when melted, is integral in creating polyester fibers, electrical appliances, unsaturated resin, and glaze. Moreover, it plays a critical role in manufacturing polyurethane foam, lubricants, and hydraulic fluids. As one of the most significant co-monomers for producing polyethylene terephthalate (PET), it is instrumental in forming polyester-carbonates, often used alongside 1,3-propylene-co-1,4-cyclohexanedimethylene succinate. This flexibility, combined with its solubility properties-miscible with water and alcohol, soluble in ketone, but nearly insoluble in aliphatic hydrocarbons and ether-makes 1,4-cyclohexanedimethanol essential in synthetic processes, including the development of polyketal copolymers.
Color/Form
Liquid;White waxy solid
Complexity
73.3
Covalently-Bonded Unit Count
1
EC Number
203-268-9
Exact Mass
144.11503g/mol
Formal Charge
0
Heavy Atom Count
10
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
NSC Number
44508
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
Rotatable Bond Count
2
UNII
47A69Y3G5M;7I8476P8P0
Vapor Density
5 (Air = 1)
Vapor Pressure
3.08e-04 mmHg;3.08X10-4 mm Hg at 25 °C
Viscosity
877 cP at 50 °C, supercooled
XLogP3
0.6
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