neryl acetate (CHEBI:141210)

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ChEBI Name	neryl acetate

ChEBI ID	CHEBI:141210

Definition	An acetate ester resulting from the formal condensation of the hydroxy group of nerol with the carboxy group of acetic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C12H20O2

Net Charge

Average Mass

196.286

Monoisotopic Mass

196.14633

InChI

InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-

InChIKey

HIGQPQRQIQDZMP-FLIBITNWSA-N

SMILES

C(=C\COC(C)=O)(\CCC=C(C)C)/C

Roles Classification
Biological Role(s):	volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	neryl acetate (CHEBI:141210) has functional parent nerol (CHEBI:29452) neryl acetate (CHEBI:141210) has role fragrance (CHEBI:48318) neryl acetate (CHEBI:141210) has role plant metabolite (CHEBI:76924) neryl acetate (CHEBI:141210) has role volatile oil component (CHEBI:27311) neryl acetate (CHEBI:141210) is a acetate ester (CHEBI:47622) neryl acetate (CHEBI:141210) is a monoterpenoid (CHEBI:25409) neryl acetate (CHEBI:141210) is a olefinic compound (CHEBI:78840)

IUPAC Name

(2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate

Synonyms	Sources
(2Z)-3,7-dimethyl-2,6-octadienyl acetate	NIST Chemistry WebBook
cis-3,7-dimethyl-2,6-octadien-1-ol acetate	ChemIDplus
cis-geranyl acetate	NIST Chemistry WebBook
neryl acetate	NIST Chemistry WebBook
neryl ethanoate	ChemIDplus

Last Modified

10 July 2018