(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
- CAS NO.：24720-09-0
- Empirical Formula: C13H20O
- Molecular Weight: 192.3
- MDL number: MFCD00673214
- EINECS: 246-430-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:24:31
What is (E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE?
Chemical properties
Colorless to pale yellow clear liquid; floral rose, apple fruity, black currant aroma.
Occurrence
Reported found in rose, tea, and tobacco
Definition
ChEBI: 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone is an enone with a trimethylcyclohexenyl substituent at C-1. It has a role as a fragrance and an allergen.
Aroma threshold values
High strength odor, fruity type; recommend smelling in a 1.0% solution or less.
Synthesis Reference(s)
The Journal of Organic Chemistry, 55, p. 1106, 1990 DOI: 10.1021/jo00290a057
Tetrahedron Letters, 23, p. 335, 1982 DOI: 10.1016/S0040-4039(00)86824-0
Flammability and Explosibility
Not classified
Properties of (E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
| Boiling point: | 267.1±29.0 °C(Predicted) |
| Density | 0.898±0.06 g/cm3(Predicted) |
| vapor pressure | 3.2Pa at 25℃ |
| refractive index | n20/D 1.496 |
| FEMA | 4088 | TRANS-ALPHA-DAMASCONE |
| Flash point: | 100 °C |
| Odor | at 1.00 % in dipropylene glycol. floral rose apple fruity black currant |
| Water Solubility | 140mg/L at 20℃ |
| JECFA Number | 2188 |
| EPA Substance Registry System | 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- (24720-09-0) |
Safety information for (E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
Computed Descriptors for (E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
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![[1alpha(E),2beta]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one](https://img.chemicalbook.in/CAS/GIF/71048-82-3.gif)
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