ChemicalBook--->CAS DataBase List--->79-76-5

79-76-5

79-76-5 Structure

79-76-5 Structure
IdentificationBack Directory
[Name]

4-(2,2-dimethyl-6-methylenecyclohexyl)-3-buten-2-one
[CAS]

79-76-5
[Synonyms]

gamma-Ionone
Vitamin A Impurity 22
5(13),7-Megastigmadien-9-one
4-(2,2-dimethyl-6-methylenecyclohexyl)-3-buten-2-one
3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-
[EINECS(EC#)]

201-223-8
[Molecular Formula]

C13H20O
[MDL Number]

MFCD21608080
[MOL File]

79-76-5.mol
[Molecular Weight]

192.297
Chemical PropertiesBack Directory
[FEMA ]

3175 | GAMMA-IONONE
[Odor]

woody floral
[Odor Type]

woody
[JECFA Number]

390
[InChI]

InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3
[InChIKey]

SFEOKXHPFMOVRM-UHFFFAOYSA-N
[SMILES]

CC(=O)C=CC1C(=C)CCCC1(C)C
[LogP]

3.85
[EPA Substance Registry System]

3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)- (79-76-5)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Hazard statements ]

H411
[TSCA ]

TSCA listed
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Citral-->Ionone
[Preparation Products]

4-(2,2-dimethyl-6-methylenecyclohexyl)butan-2-one
Hazard InformationBack Directory
[Description]

Synthesis: By condensation of cyclogeranic aldehyde with acetone, followed by separation from the (3-ionone-rich reaction mixture.
[Chemical Properties]

Colorless to pale yellow liquid. Has a warm woody, violet, and brandy aroma. Boiling point: 131°C (1733 Pa), flash point: 104°C. Found naturally in tomatoes.
[Uses]

4-(2,2-Dimethyl-6-methylenecyclohexyl)-3-buten-2-one is an aroma compound found as an analyte in food products such as raspberry juice, Sophora japonica oil and in Osmanthus flowers. 4-(2,2-Dimethyl-6-methylenecyclohexyl)-3-buten-2-one is also used as a flavouring substance.
[Definition]

ChEBI: Gamma-ionone is an ionone.
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