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Sigma-Aldrich

trans-1,4-Dimethylcyclohexane

≥98.0% (GC)

Synonym(s):

trans-Hexahydro-p-xylene

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About This Item

Empirical Formula (Hill Notation):
C8H16
CAS Number:
2207-04-7
Molecular Weight:
112.21
Beilstein/REAXYS Number:
1900344
EC Number:
218-622-8
MDL number:
MFCD00064955
UNSPSC Code:
12352100
PubChem Substance ID:
57649918

assay

≥98.0% (GC)

form

liquid

refractive index

n20/D 1.421

bp

117-119 °C

solubility

water: soluble

density

0.761 g/mL at 20 °C (lit.)

SMILES string

C[C@H]1CC[C@H](C)CC1

InChI

1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8-

InChI key

QRMPKOFEUHIBNM-ZKCHVHJHSA-N

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General description

trans-1,4-Dimethylcyclohexane is a branched cyclohexane (C6) compound. Rate coefficients for the reaction of Cl atoms and OH radicals with trans-1,4-dimethylcyclohexane has been evaluated by Fourier transform infrared (FTIR) spectroscopy and gas chromatography-mass spectrometry (GC-MS). Oxidation of trans-1,4-dimethylcyclohexane with H2O2 catalyzed by hexafluorophosphate salt and carboxylic acid has been reported. Crystal structure of trans-1,4-Dimethylcyclohexane has been studied.

Application

trans-1,4-Dimethylcyclohexane (trans-Hexahydro-p-xylene) has been used to evaluate its solid-liquid phase transitions upto pressures of 300MPa and temperatures of 293K. Experimental data for the transition has been represented by Simon equation and 2nd order polynomial equation.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

42.8 °F - closed cup

flash_point_c

6 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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