
CAS Number5164-78-3
Synonyms(6E,8E)-megastigma-4,6,8-trien-3-one; (E)-4-((E)-But-2-enylidene)-3,5,5-trimethylcyclohex-2-enone; 4-[(E)-But-2-en-(E)-ylidene]-3,5,5-trimethyl-cyclohex-2-enone; 4-(2-butenylidene)-3,5,5-trimethyl-2-cyclohexen-1-one; Megastigma-4,6E,8E-trien-3-on
Molecular FormulaC13H18O
Molecular Weight190.28100
Purity96+%
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5164-78-3 |
| Catalog No. | 2A-0098931 |
| Chinese Name | (E,E/E,Z)-tobacco cyclohexenone |
| Synonyms | (6E,8E)-megastigma-4,6,8-trien-3-one; (E)-4-((E)-But-2-enylidene)-3,5,5-trimethylcyclohex-2-enone; 4-[(E)-But-2-en-(E)-ylidene]-3,5,5-trimethyl-cyclohex-2-enone; 4-(2-butenylidene)-3,5,5-trimethyl-2-cyclohexen-1-one; Megastigma-4,6E,8E-trien-3-on |
| Molecular Formula | C13H18O |
| Molecular Weight | 190.28100 |
| Purity | 96+ |
| EINECS | 0 |
| HTC | 0 |
| UN(IATA) | 0 |
| SMILES | CC=CC=C1C(C)=CC(=O)CC1(C)C |
| InChI | InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7+ |
| InChI Key | CBQXHTWJSZXYSK-QYHKEWNESA-N |
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