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43052-87-5

43052-87-5 Structure

43052-87-5 Structure
IdentificationBack Directory
[Name]

Alpha-Damascone
[CAS]

43052-87-5
[Synonyms]

Tmchb
Fema no. 3659
ALPHA-DAMASCONE
Damascone alpha
Alpha-Damascone USP/EP/BP
1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone
4-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-4-one
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone
4-(2,6,6-Trimethylcyclohex-2-Enyl)-but-2-en-4-one
1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
1-[2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one
1-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-2-en-1-one
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
(E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-buten-1-one
[Molecular Formula]

C13H20O
[MDL Number]

MFCD00673214
[MOL File]

43052-87-5.mol
[Molecular Weight]

192.3
Chemical PropertiesBack Directory
[Boiling point ]

253-255 °C
[density ]

0.9229 g/cm3(Temp: 27 °C)
[FEMA ]

3659 | ALPHA-1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE
[refractive index ]

n20/D 1.490-1.500
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless to Pale Yellow
[Odor]

at 1.00 % in dipropylene glycol. sweet floral metallic fruity apple spicy plum minty
[Odor Type]

floral
[JECFA Number]

385
[Stability:]

Light Sensitive
[Major Application]

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
[Cosmetics Ingredients Functions]

PERFUMING
FRAGRANCE
[InChI]

1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
[InChIKey]

CRIGTVCBMUKRSL-FNORWQNLSA-N
[SMILES]

CC1=CCCC(C)(C)C1C(/C=C/C)=O
[LogP]

3.91
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2914299000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

Alpha-Damascone are ionone isomers. Depending on the position of the double bond in the ring, various isomers may exist. Commercially important are α-, β-, and δ-damascone.
[Chemical Properties]

α-Damascone has a pleasant fruity floral odor.
[Occurrence]

Reported found in black tea.
[Uses]

a-Damascone is an aromatic compound extracted from oils and carotenoid compounds used in fragrances, and other cosmetics.
[Definition]

ChEBI: An enone with a trimethylcyclohexenyl substituent at C-1.
[Aroma threshold values]

Detection: d-form, 100 ppb; l-form, 1.5 ppb
[Taste threshold values]

Taste characteristics at 30 ppm, sweet, fruity, woody with a green seedy background.
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