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24720-09-0

24720-09-0 Structure

24720-09-0 Structure
IdentificationBack Directory
[Name]

(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
[CAS]

24720-09-0
[Synonyms]

DAMASCON-ALPHA
trans-α-Damascone
(E)-alpha-damascone
TRANS-ALPHA-DAMASCONE
(E)-1-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-1-one
6,6-trimethyl-2-cyclohexen-1-yl)-1-((e)-2-buten-1-on
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
(E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-on
(E)-1-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-2-en-1-one
(E)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
(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
ALPHA-1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE
(E)-1-(2,6,6-Trimethyl-2-cyclohexene-1-yl)-2-butene-1-one
2-Buten-1-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-,(E)-
Synthetic Flavour and Fragrance 99.52%CAS#106-24-1Geraniol
trans-2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE USP/EP/BP
[EINECS(EC#)]

246-430-4
[Molecular Formula]

C13H20O
[MDL Number]

MFCD00673214
[MOL File]

24720-09-0.mol
[Molecular Weight]

192.3
Chemical PropertiesBack Directory
[Boiling point ]

267.1±29.0 °C(Predicted)
[density ]

0.898±0.06 g/cm3(Predicted)
[vapor pressure ]

3.2Pa at 25℃
[FEMA ]

4088 | TRANS-ALPHA-DAMASCONE
[refractive index ]

n20/D 1.496
[Fp ]

100 °C
[Odor]

at 1.00 % in dipropylene glycol. floral rose apple fruity black currant
[Odor Type]

fruity
[Water Solubility ]

140mg/L at 20℃
[JECFA Number]

2188
[Major Application]

flavors and fragrances
[InChIKey]

CRIGTVCBMUKRSL-FNORWQNLSA-N
[SMILES]

C\C=C\C(=O)C1C(C)=CCCC1(C)C
[LogP]

3.66 at 25℃
[EPA Substance Registry System]

2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- (24720-09-0)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

43
[Safety Statements ]

36/37
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 2
Skin Sens. 1B
Hazard InformationBack Directory
[Chemical Properties]

Colorless to pale yellow clear liquid; floral rose, apple fruity, black currant aroma.
[Occurrence]

Reported found in rose, tea, and tobacco
[Uses]

flavors and fragrances
[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]

Notclassified
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