| Phytochemical Name : (E)-beta-Damascone |
| PCNDIDOT0210 |
| Pubchem CID : 5374527 |
| Molecular formula: C13H20O |
| Canonical SMILES : CC=CC(=O)C1=C(CCCC1(C)C)C |
Synonymes : 23726-91-2|245-842-1|E-beta-damascone|damascone|(E)-beta-Damascone|2376-92-3|Rose dihydroketone|Damasione|FEMA 3243|(E)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one|4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one|trans-beta-Damascone|beta-Damascone, (E)-|EINECS 245-842-1|BRN 2046078|UNII-J131X1Y3RE|b-damascone|UNII-I75J0X33Q6|1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one|2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-|DTXSID7051890|4-(2.6.6-TRIMETHYL CYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE|2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-|I75J0X33Q6|(E)-1-(2,6,6-Trimethylcyclohex-1-enyl)-2-buten-1-one|1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one|(2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one|(E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one|(E)-1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one|2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-|EC 245-842-1|(E)-1-(2,6,6-trimethylcyclohex-1-enyl)but-2-en-1-one|2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)-, (E)-|MFCD00661756|.beta.-Damascone|1-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-1-one|damascone (e-beta-)|SCHEMBL128464|(E)-.BETA.-DAMASCONE|TRANS-.BETA.-DAMASCONE|J131X1Y3RE|CHEMBL4565078|DTXCID50210415|.BETA.-DAMASCONE, TRANS-|CHEBI:192137|.BETA.-DAMASCONE, (E)-|FEMA NO. 3243, E-|Tox21_304045|HY-N10013|STL570067|AKOS006228373|LS-3135|beta-Damascone, >=95%, sum of isomers|NCGC00357252-01|LS-47336|beta-Damascone, technical, >=90% (GC)|3,4-Dihydro-3,4,7-megastigmatrien-7-one|CAS-23726-91-2|2,6,6-Trimethyl-1-crotonoyl-1-cyclohexene|CS-0253684|trans-2,6,6-trimethyl-1-crotonoyl-1-cyclohexene|(E)-beta-Damascone 1000 microg/mL in Acetonitrile|Q1051071|1-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-2-en-1-one|TRANS-2,6,6-TRIMETHYL-1-CROTONYLCYCLOHEX-1-ENE|(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-but-2-en-1-one|(2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one|4-(2.6.6-TRIMETHYLCYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE|beta-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one|2-buten-1-ona, 1-(2,6,6-trimetil-1-ciclohexen-1-il)-, (2e)-|3-Buten-1-one, 4-[2,6,6-trimethyl-1(or 2)-cyclohexen-1-yl]-|(E) - 1 - (2,6,6 - trimethyl - 1 - cyclohexen - 1 - yl) - 2 - buten - 1 - one|2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)- (8CI,9CI) |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.830 |
| Log Po/w (XLOGP3) : 3.480 |
| Log Po/w (WLOGP) : 3.660 |
| Log Po/w (MLOGP) : 2.940 |
| Log Po/w (SILICOS-IT) : 3.810 |
| Consensus Log Po/w : 3.340 |