Record Information
Version1.0
Creation date2010-04-08 22:04:33 UTC
Update date2019-11-26 02:54:45 UTC
Primary IDFDB000411
Secondary Accession Numbers
  • FDB000416
Chemical Information
FooDB NameGeranyl 3-methylbutanoate
DescriptionConstituent of various plant subspecies including kumquat peel oil and lovage leaf and root. Flavouring ingredient. Geranyl 3-methylbutanoate is found in citrus, herbs and spices, and fruits.
CAS Number109-20-6
Structure
Thumb
Synonyms
SynonymSource
(2E)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoatebiospider
2,6-Octadien-1-ol, 3,7-dimethyl-, isovalerate, (E)-biospider
FEMA 2518db_source
Geranyl 3-methylbutanoatedb_source
Geranyl isopentanoatebiospider
Geranyl isovaleratedb_source
Isovaleric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-biospider
trans-3,7-Dimethyl-2,6-octadienyl isopentanoatebiospider
Predicted PropertiesNot Available
Chemical FormulaC15H26O2
IUPAC name
InChI IdentifierInChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-
InChI KeySOUKTGNMIRUIQN-ZROIWOOFSA-N
Isomeric SMILESCC(C)CC(=O)OC\C=C(\C)CCC=C(C)C
Average Molecular Weight238.3657
Monoisotopic Molecular Weight238.193280076
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Process

Naturally occurring process:

Role

Biological role:

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 75.58%; H 10.99%; O 13.42%DFC
Melting PointNot Available
Boiling PointBp7 135-138°DFC
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 Indexn20D 1.4538DFC
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID6433150
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDJVC33-F:BBY16-O
EAFUS ID1475
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDC00030376
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID109-20-6
GoodScent IDrw1025041
SuperScent IDNot Available
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
fruit
  1. Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
rose
  1. Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
apple
  1. Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
  2. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
green
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
fruity
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
blueberry
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
pineapple
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference