|
gptkbp:instanceOf
|
gptkb:chemical_compound
gptkb:terpene
|
|
gptkbp:aroma
|
caraway-like
spearmint-like
|
|
gptkbp:boilingPoint
|
230 °C
|
|
gptkbp:CASNumber
|
99-49-0
|
|
gptkbp:category
|
gptkb:ketone
gptkb:monoterpene
flavor compound
fragrance compound
|
|
gptkbp:chemicalFormula
|
C10H14O
|
|
gptkbp:color
|
colorless
|
|
gptkbp:contains_functional_group
|
gptkb:alkene
gptkb:ketone
|
|
gptkbp:density
|
0.96 g/cm³
|
|
gptkbp:discoveredBy
|
gptkb:Franz_Varrentrapp
|
|
gptkbp:discoveredIn
|
1842
|
|
gptkbp:EINECS_number
|
202-759-5
|
|
gptkbp:foundIn
|
gptkb:caraway_seed_oil
gptkb:spearmint_oil
|
|
gptkbp:hasInChIKey
|
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3
|
|
gptkbp:hasSMILES
|
CC1=CC(=O)CCC1C(=C)C
|
|
gptkbp:isomerOf
|
gptkb:(R)-carvone
gptkb:(S)-carvone
|
|
gptkbp:IUPACName
|
2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
|
|
gptkbp:KEGGID
|
C06425
|
|
gptkbp:meltingPoint
|
-2 °C
|
|
gptkbp:molecularWeight
|
150.22 g/mol
|
|
gptkbp:PubChem_CID
|
7439
CHEBI:25512
CHEMBL1630
|
|
gptkbp:refractiveIndex
|
1.499
|
|
gptkbp:riskFactor
|
may cause eye irritation
may cause skin irritation
|
|
gptkbp:solubility
|
insoluble
|
|
gptkbp:solubility_in_ethanol
|
soluble
|
|
gptkbp:stateAtRoomTemperature
|
gptkb:water
|
|
gptkbp:UNII
|
U0F7A3K43E
|
|
gptkbp:uses
|
gptkb:entomologist
gptkb:perfume
flavoring agent
|
|
gptkbp:bfsParent
|
gptkb:Spearmint
|
|
gptkbp:bfsLayer
|
6
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
Carvone
|