Record Information
Version1.0
Creation date2010-04-08 22:08:42 UTC
Update date2018-05-28 23:24:40 UTC
Primary IDFDB009603
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name2-(2-Hydroxy-4-methyl-3-cyclohexenyl)propionic acid gamma-lactone
DescriptionIt is used as a food additive .
CAS Number182699-77-0
Structure
Thumb
Synonyms
SynonymSource
3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3h)-benzofuranonebiospider
tetrahydro-3,6-dimethyl-2(3H)-benzofuranone, 3a,4,5,7abiospider
Predicted PropertiesNot Available
Chemical FormulaC10H14O2
IUPAC name
InChI IdentifierInChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3
InChI KeyNQWBFQXRASPNLB-UHFFFAOYSA-N
Isomeric SMILESCC1C2CCC(C)=CC2OC1=O
Average Molecular Weight166.217
Monoisotopic Molecular Weight166.099379692
Classification
ClassificationNot classified
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
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 ID4932494
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID6427076
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB29691
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS ID1757
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1582901
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
sweet
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
spicy
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
woody
  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