| 2D Structure | |
| CID | 5374527 |
| Target | / |
| IUPAC Name | (E)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one |
| InChI | InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+ |
| InChI Key | BGTBFNDXYDYBEY-FNORWQNLSA-N |
| Canonical SMILES | CC=CC(=O)C1=C(CCCC1(C)C)C |
| Isomeric SMILES | C/C=C/C(=O)C1=C(CCCC1(C)C)C |
| Molecular Formula | C13H20O |
| Molecular Weight | 192.30 |
| synonyms | ['23726-91-2', '245-842-1', 'E-beta-damascone', 'damascone', '(E)-beta-Damascone', '(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', '(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)-', 'DTXSID7051890', '2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-', 'I75J0X33Q6', 'MFCD00661756', '(2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one', 'Rose dihydroketone', 'Damasione', 'FEMA 3243', 'trans-beta-Damascone', 'beta-Damascone, (E)-', 'EINECS 245-842-1', 'BRN 2046078', 'UNII-J131X1Y3RE', '4-(2.6.6-TRIMETHYL CYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE', 'UNII-I75J0X33Q6', '.beta.-Damascone', 'damascone (e-beta-)', '(E)-1-(2,6,6-Trimethylcyclohex-1-enyl)-2-buten-1-one', '(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)-', '|A-Damascone (Standard)', 'EC 245-842-1', 'SCHEMBL128464', '(E)-.BETA.-DAMASCONE', 'TRANS-.BETA.-DAMASCONE', 'J131X1Y3RE', 'CHEMBL4565078', 'DTXCID50210415', '.BETA.-DAMASCONE, TRANS-', 'CHEBI:192137', '.BETA.-DAMASCONE, (E)-', 'HY-N10013R', 'FEMA NO. 3243, E-', 'Tox21_304045', '2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)-, (E)-', 'HY-N10013', 'STL570067', 'AKOS006228373', 'beta-Damascone, >=95%, sum of isomers', 'NCGC00357252-01', 'DA-62648', 'beta-Damascone, technical, >=90% (GC)', 'CAS-23726-91-2', '2,6,6-Trimethyl-1-crotonoyl-1-cyclohexene', 'CS-0253684', 'NS00093616', 'G12617', 'trans-2,6,6-trimethyl-1-crotonoyl-1-cyclohexene', 'Q1051071', 'TRANS-2,6,6-TRIMETHYL-1-CROTONYLCYCLOHEX-1-ENE', '(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-but-2-en-1-one', '(E)-1-(2,6,6-trimethylcyclohex-1-enyl)but-2-en-1-one', '3-Buten-1-one, 4-[2,6,6-trimethyl-1(or 2)-cyclohexen-1-yl]-'] |
From Pubchem