ρ- cymene

ρ- cymene
Compound Structure:
Synonyms: P-CYMENE; 4-Isopropyltoluene; 99-87-6 ;p-Isopropyltoluene; Dolcymene
Compound ID: NMPC-1671
PubChem ID:

7463

Molecular Formula: C10H14
Canonical SMILES: CC1=CC=C(C=C1)C(C)C
InChIKey: HFPZCAJZSCWRBC-UHFFFAOYSA-N
About the compound:

P-cymene is a monoterpene that is toluene substituted by an isopropyl group at position 4. It has a role as a plant metabolite, a volatile oil component and a human urinary metabolite. It is a member of toluenes and a monoterpene.

GHS Hazard Statements

H226: Flammable liquid and vapor [Warning Flammable liquids]

H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H331: Toxic if inhaled [Danger Acute toxicity, inhalation]

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

134.22 g/mol

XLogP3

4.1

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

0Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

86.2

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

Colourless to pale yellow mobile liquid; citrusy aroma reminiscent of lemon

Boiling Point

177.10 °C

Melting Point

-68.9 °C

Density

0.8573 g/cu cm at 20 °C

Solubility 

Miscible with ethanol, acetone, benzene, carbon tetrachloride and petroleum ether

Vapor Pressure

1.46 [mmHg]

Source:PubChem

Source Species: Eucalyptus globulus
Eugenia aromatica
Ficus exasperata
Monodora myristica
Monodora tenuifolia
Tithonia diversifolia
Eucalyptus cloeziana
Securidata longependuculat
Boswellia dalzielii
Brachystegia eurycoma
Hyparrhenia rufa
Tagetes erecta
Acalypha segetalis
Eucalyptus torelliana
Centratherum punctatum
Murraya Koenigii
Polyalthia suaveolens
Pyrenacantha staudtii
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