Piperitone

Compound Structure:

Synonyms:

PIPERITONE ;89-81-6; p-Menth-1-en-3-one;3-Carvomenthenone ;6-Isopropyl-3-methylcyclohex-2-enone

Compound ID:

NMPC-1422

PubChem ID:

6987

Molecular Formula:

C10H16O

Canonical SMILES:

CC1=CC(=O)C(CC1)C(C)C

InChIKey:

YSTPAHQEHQSRJD-UHFFFAOYSA-N

About the compound:

Piperitone is a p-menthanemonoterpenoid that is cyclohex-2-en-1-one substituted by a methyl group at position 3 and an isopropyl group at position 6. It has a role as a volatile oil component and a plant metabolite. It is a p-menthanemonoterpenoid and a cyclic terpene ketone.

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	152.23 g/mol
XLogP3-AA	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	152.120115130 g/mol
Monoisotopic Mass	152.120115130 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	189
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	clear, light yellowish to yellow liquid
Boiling Point	233.00 to 235.00 °C. @ 760.00 mm Hg
Melting Point	< 25 °C
Density	0.929-0.934
Solubility	insoluble in water; soluble in alcohol

Source: PubChem

Source Species:

Eucalyptus globulus
Eugenia aromatica
Eucalyptus tereticornis
Tagetes erecta
Eucalyptus torelliana

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