Cedrene

Cedrene
Compound Structure:
Synonyms: Cedrene;;ALPHA-CEDRENE;68608-32-2;2,6,6,8-TETRAMETHYLTRICYCLO[5.3.1.0(1,5)]UNDEC-8-ENE;Di-epi-.alpha.-cedrene;2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene;469-61-4
Compound ID: NMPC-737
PubChem ID:

521207
Molecular Formula: C15H24
Canonical SMILES: CC1CCC2C13CC=C(C(C3)C2(C)C)C
InChIKey: IRAQOCYXUMOFCW-UHFFFAOYSA-N
About the compound:

Cedrene is a sesquiterpene found in the essential oil of cedar. The two isomers present in the oil are (−)-α-cedrene and (+)-β-cedrene, which differ in the position of a double bond.

GHS Hazard Statements

• H226 (24.76%): Flammable liquid and vapor [Warning Flammable liquids]

• H304 (97.14%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

• H400 (99.81%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (97.52%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

323

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

4

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Piper guineense
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