linalyl acetate (CHEBI:6469)

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ChEBI Name	linalyl acetate

ChEBI ID	CHEBI:6469

Definition	A racemate comprising equimolar amounts of (R)- and (S)-linalyl acetate. It forms a principal component of the essential oils from bergamot and lavender.

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/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1

InChIKey

UWKAYLJWKGQEPM-LBPRGKRZSA-N

SMILES

[C@](OC(C)=O)(CCC=C(C)C)(C=C)C

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. food component A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	linalyl acetate (CHEBI:6469) has part (R)-linalyl acetate (CHEBI:78334) linalyl acetate (CHEBI:6469) has part (S)-linalyl acetate (CHEBI:78335) linalyl acetate (CHEBI:6469) has role antimicrobial agent (CHEBI:33281) linalyl acetate (CHEBI:6469) has role flavouring agent (CHEBI:35617) linalyl acetate (CHEBI:6469) has role food component (CHEBI:78295) linalyl acetate (CHEBI:6469) is a racemate (CHEBI:60911)

IUPAC Name

rac-3,7-dimethylocta-1,6-dien-3-yl acetate

Synonyms	Sources
(±)-3,7-dimethylocta-1,6-dien-3-yl acetate	ChEBI
Acetic acid linalool ester	HMDB
Bergamiol	HMDB
Bergamot mint oil	HMDB

Last Modified

16 August 2018