CHEBI:6469 - linalyl acetate

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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 0
Average Mass 196.286
Monoisotopic Mass 196.146
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
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.
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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
Manual Xrefs Databases
C09863 KEGG COMPOUND
HMDB0039522 HMDB
Linalyl_acetate Wikipedia
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Registry Numbers Types Sources
115-95-7 CAS Registry Number ChemIDplus
1724497 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23157022 PubMed citation Europe PMC
23707744 PubMed citation Europe PMC
24237351 PubMed citation Europe PMC
24599102 PubMed citation Europe PMC
24706627 PubMed citation Europe PMC
Last Modified
16 August 2018