| 2D Structure | |
| CID | 5366074 |
| Target | / |
| IUPAC Name | (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one |
| InChI | InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+ |
| InChI Key | POIARNZEYGURDG-FNORWQNLSA-N |
| Canonical SMILES | CC=CC(=O)C1=C(C=CCC1(C)C)C |
| Isomeric SMILES | C/C=C/C(=O)C1=C(C=CCC1(C)C)C |
| Molecular Formula | C13H18O |
| Molecular Weight | 190.28 |
| synonyms | ['Damascenone', 'beta-Damascenone', '23726-93-4', 'trans-beta-Damascenone', 'trans-damascenone', '.beta.-Damascenone', '2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-', 'Damascenone (natural)', 'FEMA No. 3420', '(E)-.beta.-Damascenone', 'U66V25TBO0', '(E)-beta-damascenone', 'beta-(E)-damascenone', '(E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one', 'EINECS 245-833-2', 'EINECS 245-844-2', '(2E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one', 'DAMASCENONE,.BETA.-', '4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one', 'TRANS-.BETA.-DAMASCENON', 'DTXSID6041397', '1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one', 'CHEBI:67251', '.BETA.-DAMASCENONE [MI]', 'DTXCID80196511', 'DTXSID90885242', '.BETA.-DAMASCENON, TRANS-', '2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-', '1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2E-buten-1-one', '(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one', '2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)', '(e)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-2-en-1-one', '4-(2,6,6-TRIMETHYL CYCLOHEXA-1,3-DIENYL) BUT-2-EN-4-ONE [FHFI]', '1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2E-buten-1-one', '1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2-buten-1-one', 'DAMASCENONE,BETA-', 'TRANS-BETA-DAMASCENON', 'BETA-DAMASCENON, TRANS-', 'DTXCID4021397', '4-(2,6,6-TRIMETHYL CYCLOHEXA-1,3-DIENYL) BUT-2-EN-4-ONE', '245-833-2', '245-844-2', '23696-85-7', '1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one', '(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one', '2-Buten-1-one,1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-', '2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-', '2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene', 'UNII-U66V25TBO0', 'Damascenone, trans-', 'MFCD00101024', 'damascenone (e-beta)', 'Damascenone (Standard)', '?-Damascenone, 90%', 'trans-.beta.-Damascenone', '.beta.-(E)-Damascenone', 'SCHEMBL80947', 'Damascenone, analytical standard', 'CHEMBL3733030', 'HY-N2543R', '1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene', 'HY-N2543', 'Tox21_304001', 'LMPR01070304', 's6431', 'AKOS015914961', 'FD74155', 'NCGC00357220-01', 'AC-34815', 'BS-16271', 'FD174945', 'CAS-23696-85-7', 'CS-0022815', 'NS00013181', '1-crotonoyl-2,6,6-trimethylcyclohexa-1,3-diene', '2,6,6-trimethyl-1-crotonoyl-1,3-cyclohexadiene', 'A816852', 'Q416126', '4-(2,6,6-Trimethyl cyclohexa-1,3-dienyl)but-2-en-4-one', 'Damascenone, natural, 1.1-1.3 wt. % (190 proof ethanol), FG', '(2 E)-1-(2,6,6-trimethylcyclohexane-1,3-dien-1-yl)but-2-en-1-one', '1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one, trans-'] |
From Pubchem