(Z, Z)-Farnesylacetone

Compound Structure:

Synonyms:

Farnesylacetone;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one;Farnesyl acetone;E,E-farnesylacetone;(E,E)-farnesylacetone;5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-;trans,trans-farnesylacetone

Compound ID:

NMPC-077

PubChem ID:

1711945

Molecular Formula:

C18H30O

Canonical SMILES:

CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C

InChIKey:

LTUMRKDLVGQMJU-IUBLYSDUSA-N

About the compound:

Farnesyl acetone is a terpene ketone featuring an (E,E)-farnesyl group bonded to one of the alpha-methyls of acetone. This compound serves a dual role as both a hormone and a metabolite. It is characterized by the presence of a 2-trans,6-trans-farnesyl group.

Farnesylacetone is naturally occurring and can be found in various organisms, including Tilia tomentosa and Sargassum micracanthum.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 89 of 90 companies (only ~ 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	262.4 g/mol
XLogP3-AA	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Exact Mass	262.229665576 g/mol
Monoisotopic Mass	262.229665576 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	352
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Colourless or pale straw-coloured oily liquid; intensely sweet, floral odour
Density	0.885-0.895
Solubility	soluble in water; soluble in oils

Source: PubChem

Source Species:

Crateva adansonii
Ficus asperifolia
Hirsute Palisota
Pyrenacantha staudtii

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