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(1-Methylethyl)Cyclohexane
[CAS# 696-29-7]

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Identification
Classification Organic raw materials >> Hydrocarbon compounds and their derivatives >> Cyclic hydrocarbon
Name (1-Methylethyl)Cyclohexane
Synonyms Isopropylcyclohexane; Nsc73963; 2-Cyclohexylpropane
Molecular Structure CAS#: 696-29-7, (1-Methylethyl)Cyclohexane
Molecular Formula C9H18
Molecular Weight 126.24
CAS Registry Number 696-29-7
EINECS 211-792-4
SMILES CC(C1CCCCC1)C
InChI 1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKey GWESVXSMPKAFAS-UHFFFAOYSA-N
Properties
Density 0.796g/cm3 (Cal.)
Boiling point 151.877°C at 760 mmHg (Cal.)
Flash point 35.556°C (Cal.)
Safety Data
SDS Available
References
(1) Alexandra Nemkevich, Hans-Beat Bürgi, Mark A. Spackman and Ben Corry. Molecular dynamics simulations of structure and dynamics of organic molecular crystals, Phys. Chem. Chem. Phys., 2010, 12, 14916.
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