m-cymenene

Compound Structure:

Synonyms:

1-methyl-3-propan-2-ylbenzene; M-CYMENE; 1-Isopropyl-3-methylbenzene; 3-Isopropyltoluene; m-Isopropyltoluene; m-Cymol; m-Methylisopropylbenzene; beta-Cymene; 1-Methyl-3-isopropylbenzene; Benzene, 1-methyl-3-(1-methylethyl)-

Compound ID:

NMPC-1230

PubChem ID:

10812

Molecular Formula:

C10H14

Canonical SMILES:

CC1=CC(=CC=C1)C(C)C

InChIKey:

XCYJPXQACVEIOS-UHFFFAOYSA-N

About the compound:

m-Cymene is an organic compound classified as an aromatic hydrocarbon. Its structure consists of a benzene ring meta-substituted with a methyl group and an isopropyl group. It is a flammable colorless liquid which is nearly insoluble in water but soluble in organic solvents.

GHS Hazard Statements

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	134.22 g/mol
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	134.109550447 g/mol
Monoisotopic Mass	134.109550447 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	94.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Colorless liquid; [Hawley]
Boiling Point	175 °C
Melting Point	-63.8 °C
Density	0.8610 g/cu cm at 20 °C
Solubility	Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetachloride
Vapor Pressure	1.72 [mmHg]

Source: PubChem

Source Species:

Boswellia dalzielii
Tagetes erecta
Acalypha segetalis
Eucalyptus torelliana

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