Record Information
Version1.0
Creation date2010-04-08 22:04:41 UTC
Update date2015-07-20 21:33:26 UTC
Primary IDFDB000708
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameDihydroisophorol
DescriptionFlavouring ingredient
CAS Number116-02-9
Structure
Thumb
Synonyms
SynonymSource
1-Methyl-3-dimethylcyclohexanol-5biospider
3,3,5-Trimethyl-(1R,5S)-rel-cyclohexanolHMDB
3,3,5-Trimethyl-1-cyclohexanolbiospider
3,3,5-Trimethyl-cis-cyclohexanolHMDB
3,3,5-Trimethyl-cyclohexanolHMDB
3,3,5-Trimethyl-trans-cyclohexanolHMDB
3,3,5-Trimethylcyclohexanol (c,t)biospider
3,3,5-Trimethylcyclohexanol,c&tbiospider
3,3,5-Trimethylcyclohexanol,camp tHMDB
3,5,5-Trimethylcyclohexanolbiospider
cis-3,3,5-Trimethylcyclohexanolbiospider
Cyclohexanol, 3,3,5-trimethyl-biospider
Cyclohexanol, 3,3,5-trimethyl-, (1R,5S)-rel-biospider
Cyclohexanol, 3,3,5-trimethyl-, cis-biospider
Cyclohexanol, 3,3,5-trimethyl-, trans-biospider
Cyclonoldb_source
dihydro-IsophorolHMDB
Dihydroisophoroldb_source
FEMA 3962db_source
Homomentholdb_source
Isophorol, dihydro-biospider
TMCbiospider
trans-3,3,5-Trimethylcyclohexanolbiospider
trans-3,5,5-Trimethylcyclohexan-1-olbiospider
Trimethylcyclohexanolbiospider
Predicted PropertiesNot Available
Chemical FormulaC9H18O
IUPAC name
InChI IdentifierInChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
InChI KeyBRRVXFOKWJKTGG-UHFFFAOYSA-N
Isomeric SMILESCC1CC(O)CC(C)(C)C1
Average Molecular Weight142.2386
Monoisotopic Molecular Weight142.135765198
Classification
ClassificationNot classified
Ontology
Disposition

Biological location:

Source:

Role

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 76.00%; H 12.75%; O 11.25%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 ID7997
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID8298
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB29557
CRC / DFC (Dictionary of Food Compounds) IDBFS88-J:BFS88-J
EAFUS ID3743
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1023671
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
mint
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
cool
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
mentholic
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
musty
  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.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference