α- phellandrene

Compound Structure:

Synonyms:

ALPHA-PHELLANDRENE ;99-83-2; p-Mentha-1,5-diene Menthadiene; 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-

Compound ID:

NMPC-1609

PubChem ID:

7460

Molecular Formula:

C10H16

Canonical SMILES:

CC1=CCC(C=C1)C(C)C

InChIKey:

OGLDWXZKYODSOB-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	136.23 g/mol
XLogP3-AA	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	136.125200510 g/mol
Monoisotopic Mass	136.125200510 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	161
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	Colourless to slightly yellow, mobile liquid; peppery, woody, herbaceous aroma
Boiling Point	249.00 °C. @ 760.00 mm Hg
Density	0.845-0.855
Solubility	Insoluble in water; soluble in oils
Vapor Pressure	1.4 [mmHg]

Source:PubChem

Source Species:

Eucalyptus globulus
Eugenia aromatica
Heeria insignis
Laggera aurita
Solanum nigrum
Tetrapleura tetraptera
Strychnos innocua
Tithonia rotundifolia
Araucaria cunninghamii
Eucalyptus cloeziana
Securidata longependuculat
Boswellia dalzielii
Eucalyptus tereticornis
Hyparrhenia rufa
Acalypha segetalis
Eucalyptus torelliana
Centratherum punctatum
Morinda lucida
Murraya Koenigii
Plumeria alba
Pyrenacantha staudtii

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