43052-87-5

Basic information

• Product Name: 1-(2,6,6-Trimethyl-cyclohex-2-enyl)-but-2-en-1-one
• Synonyms: 4-(2,6,6-Trimethylcyclohex-2-Enyl)-but-2-en-4-one;1-[2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one;2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-;1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone;1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE;Damascone alpha;4-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-4-one;Fema no. 3659
• CAS NO: 43052-87-5
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.3
• Mol File: 43052-87-5.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 267.1 °C at 760 mmHg
• Flash Point: 105.7 °C
• Appearance: /
• Density: 0.898 g/cm³
• Vapor Pressure: 0.0083mmHg at 25°C
• Refractive Index: 1.471
• CAS DataBase Reference: 1-(2,6,6-Trimethyl-cyclohex-2-enyl)-but-2-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2,6,6-Trimethyl-cyclohex-2-enyl)-but-2-en-1-one(43052-87-5)
• EPA Substance Registry System: 1-(2,6,6-Trimethyl-cyclohex-2-enyl)-but-2-en-1-one(43052-87-5)

Safety Data

• Hazardous Substances Data: 43052-87-5(Hazardous Substances Data)

Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 43052-87-5 differently. You can refer to the following data:
1. 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.
2. α-Damascone has a pleasant fruity floral odor.

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.

InChI:InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3

Upstream product

• 28102-24-1 (Z)-2,6,6-Trimethyl-α-(1-propenyl)-2-cyclohexene-1-methanol 
• 5146-66-7 geranonitrile 
• 564-24-9 (+/-)-α-cyclogeranic acid 
• 459-80-3 geranic acid 
• 61899-98-7 2,6,6-trimethylcyclohex-2-en-1-ylidene ketene 
• 107-05-1 3-chloroprop-1-ene 
• 25915-53-1 2,6,6-trimethyl-3-cyclohexenyl methyl ketone 
• 39900-15-7 (+/-)-3-hydroxy-1-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-1-one 
• 39900-11-3 1-(2,6,6-trimethyl-2-cyclohexenyl)-1,3-butanedione 
• 5392-40-5 (E/Z)-3,7-dimethyl-2,6-octadienal 
• 41436-42-4 cis 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one 
• 41436-42-4 trans 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one 
• 124572-59-4 α-ionone epoxyhydrazone 
• 37079-64-4 1-[3-(2,6,6-trimethyl-cyclohex-2-enyl)-oxiranyl]-ethanone 

Downstream Products

• 23696-85-7 1-(2,6,6-trimethyl-1,3-cyclohexadiene-1-yl)-2-butene-1-one 

Relevant articles and documents

Synthetic method of alpha-damascone

The invention provides a synthetic method of alpha-damascone. According to the synthetic method, lemonile is used as a raw material, alpha-pseudoisodamascenone is generated through one-step reaction,oxidizing agents such as sodium dichromate or chromic ox

1 - (2, 6, 6 - trimethyl - cyclohexenyl) - 2 - butene - 1 - ketone

The invention provides a 1-(2,6,6-trimethyl-cyclohexenyl)-2-buten-1-one preparation method, which comprises that 1-(2,6,6-trimethyl-3-cyclohexenyl)-1,3-butanedione is subjected to isomerization to obtained an isomerized product; and the isomerized product reacts to obtain 1-(2,6,6-trimethyl-cyclohexenyl)-2-buten-1-one, wherein the 1-(2,6,6-trimethyl-cyclohexenyl)-2-buten-1-one comprises 1-(2,6,6-trimethyl-cyclohex-1-enyl)-2-buten-1-one and 1-(2,6,6-trimethyl-cyclohex-2-enyl)-2-buten-1-one. According to the present invention, the 1-(2,6,6-trimethyl-3-cyclohexenyl)-1,3-butanedione is adopted as the raw material, such that the oxidation of the alcohol into the ketone is avoided compared with the prior art, and the environmental pollution is low; and the route is simple, and the scale production is easily achieved.

PROCESS FOR THE ISOMERISATION OF A CYCLOHEXENYL ALKYL OR ALKENYL KETONE

The present invention relates to a process for the carbon-carbon double bond isomerisation of a 2-alkyl-cyclohex-3-enyl alkyl or alkenyl ketone into a mixture comprising the corresponding 2-alkyl-cyclohex-2-enyl ketones and the corresponding 2-alkylene-cy