ChemicalBook > Product Catalog >Flavors and fragrances >Synthetic fragrances >Ketones spices >Terpene ketone >(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

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CAS:0024720-09-0
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CAS:24720-09-0
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CAS:24720-09-0
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CAS:24720-09-0
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  • CAS:24720-09-0
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  • 2020-02-26
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(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE Basic information
Product Name:(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
Synonyms:(2E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one;1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-,(E)-2-Buten-1-one;1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-trans-2-Buten-1-one;2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-;2-Buten-1-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-,(E)-;6,6-trimethyl-2-cyclohexen-1-yl)-1-((e)-2-buten-1-on;trans-2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-;(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
CAS:24720-09-0
MF:C13H20O
MW:192.3
EINECS:246-430-4
Product Categories:ketone Flavor
Mol File:24720-09-0.mol
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE Structure
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE Chemical Properties
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
Fp 100 °C
Odorat 1.00 % in dipropylene glycol. floral rose apple fruity black currant
Odor Typefruity
Water Solubility 140mg/L at 20℃
JECFA Number2188
Henry's Law Constant2.1×101 mol/(m3Pa) at 25℃, Abney (2021)
Major Applicationflavors and fragrances
InChIKeyCRIGTVCBMUKRSL-FNORWQNLSA-N
SMILESC\C=C\C(=O)C1C(C)=CCCC1(C)C
LogP3.66 at 25℃
EPA Substance Registry System2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- (24720-09-0)
Safety Information
Hazard Codes Xi
Risk Statements 43
Safety Statements 36/37
WGK Germany WGK 3
TSCA TSCA listed
Storage Class10 - Combustible liquids
Hazard ClassificationsAcute Tox. 4 Oral
Aquatic Chronic 2
Skin Sens. 1B
MSDS Information
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE Usage And Synthesis
Chemical PropertiesColorless to pale yellow clear liquid; floral rose, apple fruity, black currant aroma.
OccurrenceReported found in rose, tea, and tobacco
Usesflavors and fragrances
DefinitionChEBI: 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 valuesHigh 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 ExplosibilityNot classified
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE Preparation Products And Raw materials
Tag:(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE(24720-09-0) Related Product Information
Damascenone 3-BUTEN-2-ONE, 3-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL) (Z)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one (E)-3-METHYL-4-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-3-EN-2-ONE ISODAMASCONE 4-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-3-EN-2-ONE,(±)-4-trans-(2,6,6-trimethyl-cyclohex-2-enyl)-but-3-en-2-on (E)-3-METHYL-4-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-3-EN-2-ONE Alpha-Damascone 1(Z)-(2,6,6-trimethyl-cyclohex-1-enyl)-pent-1-en-3-on 4-(2.6.6-TRIMETHYL CYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE 3-methyl-4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-one 4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-on 1(E)-(2,6,6-trimethyl-cyclohex-1-enyl)-pent-1-en-3-on 1-(2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-BUT-2-EN-1-ONE [1alpha(E),2beta]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one alpha-Cyclociral 2,4-DIMETHYL-3-CYCLOHEXENECARBOXALDEHYDE Delta Damascone