o-Cymene

Compound Structure:

Synonyms:

1-methyl-2-propan-2-ylbenzene; O-CYMENE; 2-Isopropyltoluene; o-Cymol; o-Isopropyltoluene; CYMENE, ORTHO; 1-Methyl-2-isopropylbenzene; Benzene, 1-methyl-2-(1-methylethyl)-; ortho-cymene; Benzene, methyl(1-methylethyl)-

Compound ID:

NMPC-1357

PubChem ID:

10703

Molecular Formula:

C10H14

Canonical SMILES:

CC1=CC=CC=C1C(C)C

InChIKey:

WWRCMNKATXZARA-UHFFFAOYSA-N

About the compound:

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-AA	3.4
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] Clear nearly colorless liquid;
Boiling Point	178 °C
Melting Point	-71.5 °C
Density	0.8766 g/cu cm at 20 °C
Solubility	Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetrachloride
Vapor Pressure	1.5 [mmHg]

Source: PubChem

Source Species:

Chenopodium ambrosioides
Chrysophyllum albidum
Laggera aurita
Ocimum basilicum
Palisota hirsuta
Eucalyptus cloeziana
Terminalia catappa

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