CAS 105-08-8 1,4-Cyclohexanedimethanol (cis- and trans- mixture)

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1,4-Cyclohexanedimethanol (cis- and trans- mixture)

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Catalog Number

ACM105088

CAS Number

105-08-8

Product Name

1,4-Cyclohexanedimethanol (cis- and trans- mixture)

Structure

Category

Monomers

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

Color/Form

Liquid;White waxy solid

Complexity

73.3

Covalently-Bonded Unit Count

EC Number

203-268-9

Exact Mass

144.11503g/mol

Formal Charge

Heavy Atom Count

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

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

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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