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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:
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

Signal Word

Danger

Hazard Statements

H225,H302

Precautionary Statements

P210 - P301 + P312 + P330

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

42.8 °F - closed cup

Flash Point(C)

6 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBP0742V
302528/1

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trans-1, 4-Dimethylcyclohexane.
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