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CHEBI:142274 - (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate

ChEBI IDCHEBI:142274
ChEBI Name(3S)-3,7-dimethyloct-7-en-1-yl phenylacetate
Stars
ASCII Name(3S)-3,7-dimethyloct-7-en-1-yl phenylacetate
DefinitionA carboxylic ester resulting from the formal condensation of phenylacetic acid with (3S)-3,7-dimethyloct-7-en-1-ol.
Last Modified28 September 2018
Submittermwilliams
DownloadsMolfile
FormulaC18H26O2
Net Charge0
Average Mass274.404
Monoisotopic Mass274.19328
SMILESC=C(C)CCC[C@H](C)CCOC(=O)Cc1ccccc1
InChIInChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3/t16-/m0/s1
InChIKeySKZDJVXLRPCFQC-INIZCTEOSA-N
Roles Classification
Biological Role:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
(3S)-3,7-dimethyloct-7-en-1-yl phenylacetate (CHEBI:142274) has functional parent phenylacetic acid (CHEBI:30745)
(3S)-3,7-dimethyloct-7-en-1-yl phenylacetate (CHEBI:142274) has role flavouring agent (CHEBI:35617)
(3S)-3,7-dimethyloct-7-en-1-yl phenylacetate (CHEBI:142274) is a carboxylic ester (CHEBI:33308)
(3S)-3,7-dimethyloct-7-en-1-yl phenylacetate (CHEBI:142274) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(3S)-3,7-dimethyloct-7-en-1-yl phenylacetate
Synonyms  Source
[(3S)-3,7-dimethyloct-7-enyl] 2-phenylacetateChEBI
(S)-3,7-dimethyl-7-octenyl benzeneacetateHMDB
(3S)-3,7-dimethyloct-7-enyl-2-phenylacetateChEBI
(S)-3,7-dimethyloct-7-enyl phenylacetateHMDB
rhodinyl phenylacetateChEBI
Manual XrefsDatabases
HMDB0037191HMDB
FDB016193FooDB
Registry NumbersSources
Reaxys:23623724Reaxys
CAS:10486-14-3ChemIDplus
Citations