Results for:
PubChem ID: 519382

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

Mass-Spectra

Compound Details

Synonymous names	QJJDNZGPQDGNDX-UHFFFAOYSA-N Oxidized Latia luciferin Dihydro Lonone Beta Dihydro-beta-ionone AC1LAS8K DIHYDRO-?-IONONE Dihydro-|A-ionone 710YK6CESE UNII-710YK6CESE Dihydro-.beta.-ionone SCHEMBL441670 Dihydro-beta-ionone, >=90% C03527 LS-2671 DTXSID4047200 OR048600 OR230956 CHEMBL3188345 CHEBI:18015 ZINC2565574 7,8-Dihydro-beta-ionone AJ-41132 DSSTox_GSID_47200 STOCK1N-72264 AN-18697 AK-60960 ZINC02565574 DSSTox_RID_82195 DSSTox_CID_27200 AI3-32482 AKOS015903877 .beta.-7,8-Dihydroionone .beta.-Ionone, dihydro- FEMA No. 3626 I14-18428 Tox21_302666 7,8-Dihydro-.beta.-ionone NCGC00256712-01 EINECS 241-318-1 17283-81-7 .alpha.,.beta.-Dihydro-.beta.-ionone MolPort-003-721-207 CAS-17283-81-7 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one 4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-one 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one 4-(2,6,6-trimethyl-1-cyclohexenyl)-butan-2-one 4-(2,6,6-trimethyl-cyclohex-1-enyl)-butan-2-one 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone 4-(2,6,6-trimethylcyclohex-1-en-1-yl)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 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 name	4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
SMILES	CC1=C(C(CCC1)(C)C)CCC(=O)C
Inchi	InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
Formula	C13H22O
PubChem ID	519382
Molweight	194.318
LogP	3.28
Atoms	36
Bonds	36
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Terpenes Ketones Alkenes

mVOC Specific Details

MS-Links

MS-MS Spectrum 136355 MS-MS Spectrum 136354 MS-MS Spectrum 50099 MS-MS Spectrum 136353 MS-MS Spectrum 50097 MS-MS Spectrum 50098

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Biofilms A (Rivularia Sp./Calothrix Parietina Community) n/a Hoeckelmann et al., 2004 Bacteria Calothrix Parietina PCC 6303 n/a Hoeckelmann et al., 2004 Bacteria Calothrix Spp. n/a Schulz and Dickschat, 2007 Bacteria Cyanobacteria n/a Hoeckelmann et al., 2004 Bacteria Phormidium Sp. n/a Schulz and Dickschat, 2007 Bacteria Plectonema n/a Schulz and Dickschat, 2007 Bacteria Plectonema Notatum n/a Hoeckelmann et al., 2004 Bacteria Plectonema Sp. n/a Hoeckelmann et al., 2004 Bacteria Rivularia Sp. n/a Hoeckelmann et al., 2004

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Biofilms A (Rivularia Sp./Calothrix Parietina Community) n/a n/a Bacteria Calothrix Parietina PCC 6303 n/a n/a Bacteria Calothrix Spp. n/a n/a Bacteria Cyanobacteria n/a n/a Bacteria Phormidium Sp. n/a n/a Bacteria Plectonema n/a n/a Bacteria Plectonema Notatum n/a n/a Bacteria Plectonema Sp. n/a n/a Bacteria Rivularia Sp. n/a n/a