Record Information
Version1.0
Creation date2010-04-08 22:13:09 UTC
Update date2015-07-20 23:39:38 UTC
Primary IDFDB017551
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameGeranyl phenylacetate
DescriptionGeranyl phenylacetate belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Based on a literature review a significant number of articles have been published on Geranyl phenylacetate.
CAS Number102-22-7
Structure
Thumb
Synonyms
SynonymSource
Geranyl phenylacetic acidGenerator
(2E)-3,7-Dimethyl-2,6-octadienyl phenylacetateHMDB
3,7-Dimethyl-2,6-octadienyl ester(e)-benzeneacetic acidHMDB
FEMA 2516HMDB
Geranyl alpha -toluateHMDB
Phenylacetic acid, geranyl esterHMDB
Phenylacetyl geranateHMDB
trans-3,7-Dimethyl-2,6-octadienyl phenylacetateHMDB
(2Z)-3,7-Dimethylocta-2,6-dien-1-yl 2-phenylacetic acidGenerator
Benzeneacetic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-biospider
Geranyl α-toluatebiospider
Geranyl phenylacetatedb_source
Predicted PropertiesNot Available
Chemical FormulaC18H24O2
IUPAC name
InChI IdentifierInChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12-
InChI KeyUXAIJXIHZDZMSK-VBKFSLOCSA-N
Isomeric SMILESCC(C)=CCC\C(C)=C/COC(=O)CC1=CC=CC=C1
Average Molecular Weight272.382
Monoisotopic Molecular Weight272.177630012
Classification
Description Belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohol esters
Direct ParentFatty alcohol esters
Alternative Parents
Substituents
  • Fatty alcohol ester
  • Monoterpenoid
  • Monocyclic monoterpenoid
  • Aromatic monoterpenoid
  • Benzenoid
  • Monocyclic benzene moiety
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Route of exposure:

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Process

Naturally occurring process:

Role

Industrial application:

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Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 79.37%; H 8.88%; O 11.75%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID4941013
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID6436374
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB38257
CRC / DFC (Dictionary of Food Compounds) IDJVC33-F:KYH03-B
EAFUS ID1477
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent ID5366044
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
honey
  1. Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference