| Phytochemical Name : Safranal |
| PCNDIDS0003 |
| Pubchem CID : 61041 |
| Molecular formula: C10H14O |
| Canonical SMILES : CC1=C(C(CC=C1)(C)C)C=O |
Synonymes : Safranal|116-26-7|2,3-Dihydro-2,2,6-trimethylbenzaldehyde|2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde|1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-|2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde|Dehydro-beta-cyclocitral|2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde|(2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal|FEMA No. 3389|2,6,6-Trimethyl-1,3-cyclohexadienal|2,6,6-Trimethylcyclohexa-1,3-dienyl methanal|1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene|EINECS 204-133-7|UNII-4393FR07EA|DTXSID7049398|CHEBI:53169|4393FR07EA|Dehydro-b-cyclocitral|SAFRANAL [MI]|Safranal (>80per cent)|SCHEMBL23561|Safranal, >=90%, stabilized|CHEMBL3183495|DTXCID4029357|FEMA 3389|SGAWOGXMMPSZPB-UHFFFAOYSA-|DEHYDRO-.BETA.-CYCLOCITRAL|HY-N7560|Tox21_202723|MFCD00209531|AKOS022504707|LS-3133|NCGC00260271-01|AS-75889|CAS-116-26-7|CS-0133689|FT-0631664|1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene|2,2,6-trimethyl-4,6-cyclohexadien-1-aldehyde|C17062|D78038|EN300-781042|2,3 - dihydro - 2,2,6 - trimethylbenzaldehyde|A803586|Q424919|2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde|J-003414|2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #|2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI|Z1255446334|2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL METHANAL [FHFI]|CYCLOHEXA-1,3-DIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.130 |
| Log Po/w (XLOGP3) : 2.140 |
| Log Po/w (WLOGP) : 2.490 |
| Log Po/w (MLOGP) : 2.100 |
| Log Po/w (SILICOS-IT) : 2.620 |
| Consensus Log Po/w : 2.300 |