Guaiene

Compound Structure:

Synonyms:

1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene; GUAIENE; beta-Guaiene; beta -guainene; b-Guaiene; beta -cis-guaiene; Cis-beta -guainene; 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)azulene, 9CI

Compound ID:

NMPC-1091

PubChem ID:

6949

Molecular Formula:

C15H24

Canonical SMILES:

CC1CCC(=C(C)C)CC2=C1CCC2C

InChIKey:

GIBQERSGRNPMEH-UHFFFAOYSA-N

About the compound:

Guaienes are a series of closely related natural chemical compounds that have been isolated from a variety of plant sources. The guaienes are sesquiterpenes with the molecular formula C15H24. α-Guaiene is the most common and was first isolated from guaiac wood oil from Bulnesiasarmientoi. The guaienes are used in the fragrance and flavoring industries to impart earthy, spicy aromas and tastes.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	4.1
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	0Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	313
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Mobile greenish-yellow liquid; Earthy, spicy aroma
Density	0.912-0.918
Solubility	Insoluble in water, propylene glycol; Soluble in oils

Source: PubChem

Source Species:

Borreria verticillata.

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