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HomeProduct name list(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE

(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: 2023-05-25 18:01:16
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE Structural

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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