471-01-2

Basic information

• Product Name: 3,5,5-trimethylcyclohex-3-en-1-one
• Synonyms: 3,5,5-trimethylcyclohex-3-en-1-one;3-Cyclohexen-1-one, 3,5,5-trimethyl-;3,5,5-TRIMETHYL-3-CYCLOHEXENE-1-ONE;beta-isophorone;2,6,6-Trimethylcyclohexene-4-one;3,5,5-Trimethyl-3-cyclohexen-1-one;Crocusatin E;3,5,5-Trimethylcyclohexen-3-one
• CAS NO: 471-01-2
• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.20686
• EINECS: 207-434-1
• Mol File: 471-01-2.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 189.2°Cat760mmHg
• Flash Point: 64.2°C
• Appearance: /
• Density: 0.905g/cm³
• Vapor Pressure: 0.578mmHg at 25°C
• Refractive Index: 1.455
• CAS DataBase Reference: 3,5,5-trimethylcyclohex-3-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5,5-trimethylcyclohex-3-en-1-one(471-01-2)
• EPA Substance Registry System: 3,5,5-trimethylcyclohex-3-en-1-one(471-01-2)

Safety Data

• Hazardous Substances Data: 471-01-2(Hazardous Substances Data)

Usage

General Description

3,5,5-trimethylcyclohex-3-en-1-one is a chemical compound with the molecular formula C9H14O. It is a ketone, which means it contains a carbonyl group bonded to two alkyl groups. 3,5,5-trimethylcyclohex-3-en-1-one is commonly used in the fragrance and flavor industry due to its pleasant aroma and taste. It is also used as an intermediate in the synthesis of other organic compounds. 3,5,5-trimethylcyclohex-3-en-1-one is a colorless liquid with a fruity, floral scent, and it is often added to perfumes, colognes, and other scented products. It is important to note that this compound should be handled and stored with caution, as it is flammable and may be harmful if ingested or inhaled.

InChI:InChI=1/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3

Upstream product

• 78-59-1 3,5,5-Trimethylcyclohex-2-en-1-one 
• 75-16-1 methylmagnesium bromide 
• 60-29-7 diethyl ether 
• 7705-08-0 iron(III) chloride 
• 67-64-1 acetone 
• 141-79-7 4-methyl-pent-3-en-2-one 
• 141-97-9 ethyl acetoacetate 

Downstream Products

• 1125-21-9 2,6,6-trimethyl-2-cyclohexene-1,4-dione 
• 14203-59-9 4-hydroxy-3,5,5-trimethyl-cyclohex-2-enone 
• 78-59-1 3,5,5-Trimethylcyclohex-2-en-1-one 
• 56621-35-3 3-formyl-5,5-dimethyl-2-cycolohexen-1-one 
• 77063-69-5 fluoro-3 trimethyl-3,5,5 cyclohexanol-1 
• 77063-70-8 acetoxy-1 fluoro-3 trimethyl-3,5,5 cyclohexane 
• 77063-67-3 fluoro-3 trimethyl-3,5,5 cyclohexanone 
• 22463-33-8 (+/-)-3,5,5-Trimethyl-3-cyclohexen-1-yl acetate 
• 10276-21-8 isophorone oxide 
• 89438-98-2 C₁₇H₂₅NO₂S 
• 89462-18-0 C₁₇H₂₅NO₂S 
• 19020-56-5 trimethyl-3,5,5 cyclohexene-3 ol-1 
• 33623-29-9 5-(p-Brom-phenyl)-3,3,5-trimethyl-cyclohexanon 
• 6293-60-3 3,5,5-trimethyl-cyclohex-2-enone semicarbazone 

Relevant articles and documents

Method for preparing beta-isophorone through isomerism of alpha-isophorone

The invention discloses a method for preparing beta-isophorone through isomerism of alpha-isophorone. The method includes the steps that with a vanadium-containing compound serving as a catalyst and alpha-isophorone serving as a raw material, a liquid phase reaction is carried out, wherein the mass ratio of the raw material to the catalyst is 1000:(1-100); distillation is carried out at the normal pressure and the temperature of 190-240 DEG C, distillate is continuously extracted, and beta-isophorone is constantly transferred out of the reaction system, wherein beta-isophorone accounts for 50%-90% of the weight of the distillate. Compared with a traditional method, the catalyst used in the method is very novel, and the method has the advantages that the use level of the catalyst is low, the reaction speed is high, the reaction conversion rate is high and reaches 90% or above, and the reaction selectivity is good; besides, after the reaction is finished, reactants and reaction by-products can be separated through vacuum distillation.

A continuous preparation of 3, 5, 5-trimethyl cyclohexyl-3-ene-1-one

The invention relates to a method of continuously preparing 3,5,5-trimethyl-3-cyclohexene-1-one (beta-isophorone) by utilization of a heterogeneous catalyst. 3,5,5-trimethyl-2-cyclohexene-1-one is adopted as a raw material, and is subjected to an isomerization reaction by adoption of a reactive distillation column under conditions of a solid alkali catalyst without adding other organic alkalis to obtain the 3,5,5-trimethyl-3-cyclohexene-1-one. The method has advantages of high conversion ratio, good selectivity, less heavy components, easy catalyst recovery, and the like and is a green synthetic process.