Record Information
Version1.0
Creation date2018-04-10 12:16:57 UTC
Update date2018-04-27 10:25:04 UTC
FoodComEx IDPC001098
FoodDB RecordFDB014799
Chemical Information
NameNootkatone
DescriptionConstit. of grapefruit oil and juice. Flavouring ingredient.
CAS Number4674-50-4
Structure
Thumb
Synonyms
SynonymSource
(+)-5,6-dimethyl-8-isopropenylbicyclo[4.4.0]dec-1-en-3-onebiospider
(+)-Nootkatonebiospider
4βH,5α-Eremophila-1(10),11-dien-2-onebiospider
4βH,5α-Eremorphila-1(10)11-dien-2-onebiospider
4betaH,5alpha-Eremophila-1(10),11-dien-2-onebiospider
4betaH,5alpha-Eremorphila-1(10)11-dien-2-onebiospider
5,6-Dimethyl-8-isopropenylbicyclo(4.4.0)dec-1-en-3-onebiospider
FEMA 3166db_source
Nootkanonebiospider
Nootkatanebiospider
Nootkatonedb_source
Chemical FormulaC15H22O
IUPAC name4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
InChI IdentifierInChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3
InChI KeyWTOYNNBCKUYIKC-UHFFFAOYSA-N
Isomeric SMILESCC1CC(=O)C=C2CCC(CC12C)C(C)=C
Average Molecular Weight218.3346
Monoisotopic Molecular Weight218.167065326
Chemical Taxonomy
ClassTerpenoids
FamilySesquiterpenoids
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 36-37°DFC
Foods of Origin
Grapefuit
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 5 mg
Delivery Time2 weeks
Storage Formliquid
Storage ConditionsRT
StabilityNot Available
Purity>98%
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRA, Human Nutrition, Research Center Auvergne-Rhône-Alpes - Theix, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr
Commercial Vendors
AKSci W2758
MetaSci HMDB0013687
Tokyo Chemical Industry HMDB0013687
Toronto Research Chemicals N650500