Results for:
PubChem ID: 519382

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

Mass-Spectra

Compound Details

Synonymous names
Dihydro-beta-ionone
17283-81-7
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one
7,8-Dihydro-beta-ionone
2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
FEMA No. 3626
4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone
4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
Dihydro-b-ionone
UNII-710YK6CESE
EINECS 241-318-1
710YK6CESE
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one
AI3-32482
Dihydro-.beta.-ionone
DTXSID4047200
CHEBI:18015
.alpha.,.beta.-Dihydro-.beta.-ionone
Dihydro-|A-ionone
Latia oxyluciferin
Dihydro-fA-ionone
5-Megastigmen-9-one
DIHYDRO-?-IONONE
.beta.-Ionone, dihydro-
7,8-Dehydro-beta-ionone
C03527
.beta.-7,8-Dihydroionone
4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one
7,8-Dihydro-.beta.-ionone
SCHEMBL441670
alpha,beta-Dihydro-beta-ionone
Dihydro-beta-ionone, >=90%
CHEMBL3188345
DTXCID2027200
Tox21_302666
MFCD00456730
AKOS015903877
DIHYDRO-.BETA.-IONONE [FHFI]
FS-4346
NCGC00256712-01
CAS-17283-81-7
CS-0153466
D5751
NS00013271
D93119
4-(2,6,6-trimethyl-1-cyclohexenyl)-butan-2-one
4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-one
4-(2,6,6-trimethyl-cyclohex-1-enyl)-butan-2-one
1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one
4-(2,6,6-trimethyl-cyclohex-1 -enyl)-butan-2-one
Q27102766
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 9CI
2-BUTANONE, 4-(2,6,6- TRIMETHYL-1-CYCLOHEXEN-1-YL)-
InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H
Microorganism:

Yes

IUPAC name4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
SMILESCC1=C(C(CCC1)(C)C)CCC(=O)C
InchiInChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
FormulaC13H22O
PubChem ID519382
Molweight194.31
LogP2.7
Atoms14
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationterpenes ketones
CHEBI-ID18015
Supernatural-IDSN0307056

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaCalothrix Sp.n/aNASchulz and Dickschat 2007
ProkaryotaPlectonema Sp.n/aNASchulz and Dickschat 2007
ProkaryotaPhormidium Sp.n/aNASchulz and Dickschat 2007
ProkaryotaCyanobacteria Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaCalothrix Parietinan/aNAHoeckelmann et al. 2004
ProkaryotaPlectonema Notatumn/aNAHoeckelmann et al. 2004
ProkaryotaPlectonema Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp./Calothrix Parietinan/aNAHoeckelmann et al. 2004
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaCalothrix Sp.n/an/ano
ProkaryotaPlectonema Sp.n/an/ano
ProkaryotaPhormidium Sp.n/an/ano
ProkaryotaCyanobacteria Sp.n/an/ano
ProkaryotaCalothrix Parietinan/an/ano
ProkaryotaPlectonema Notatumn/an/ano
ProkaryotaRivularia Sp.n/an/ano
ProkaryotaRivularia Sp./Calothrix Parietinan/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno