CHEBI:78333 - 3,7-dimethylocta-1,6-dien-3-yl acetate

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ChEBI Name 3,7-dimethylocta-1,6-dien-3-yl acetate
ChEBI ID CHEBI:78333
Definition A monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H20O2
Net Charge 0
Average Mass 196.28600
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
InChIKey UWKAYLJWKGQEPM-UHFFFAOYSA-N
SMILES CC(C)=CCCC(C)(OC(C)=O)C=C
ChEBI Ontology
Outgoing 3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333) has functional parent linalool (CHEBI:17580)
3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333) is a acetate ester (CHEBI:47622)
3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333) is a monoterpenoid (CHEBI:25409)
Incoming (R)-linalyl acetate (CHEBI:78334) is a 3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333)
(S)-linalyl acetate (CHEBI:78335) is a 3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333)
IUPAC Name
3,7-dimethylocta-1,6-dien-3-yl acetate
Last Modified
24 April 2014
General Comment
2014-04-24 This is the entry where the stereochemistry for the molecule is unspecified. There are separate entries for the (R)- and (S)-linalyl acetate.