3,5,5-Trimethyl-1,2-cyclohexanedione

CAS: 57696-89-6

Ref. 3D-FT64067

Product Information

• Name: 3,5,5-Trimethyl-1,2-cyclohexanedione
• Synonyms: (3R)-3,5,5-trimethylcyclohexane-1,2-dione, (3S)-3,5,5-trimethylcyclohexane-1,2-dione, 1,2-Cyclohexanedione, 3,5,5-trimethyl-, 2-Cyclohexen-1-one, 2-hydroxy-3,5,5-trimethyl-, 2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone, 2-Hydroxyisophorone, 3,5,5-Trimethylcyclohexane-1,2-Dione, FEMA No. 3459
• CAS: 57696-89-6

Description

3,5,5-Trimethyl-1,2-cyclohexanedione (TMCD) is a chemical intermediate in the production of epoxy resins. It is also used as an agricultural fungicide and herbicide. The oxidation of TMCD produces 3,5,5-trimethyl-1,3-cyclohexanedione (TMCD), which reacts with hydrogen peroxide to produce 3,4,6-trimethylcyclohexanone (TMC). TMCD can react with chlorine gas to produce 2-(chloromethyl)cyclopropane carboxylic acid (CMCA), which has been shown to have growth promoting activity in plants. TMCD can also be converted into trifluoride by treatment with boron trifluoride etherate and selectivities are achieved through the use of chloride or chlorine gas.

• Brand: Biosynth

Chemical properties

• Molecular weight: 154.21 g/mol
• Formula: C₉H₁₄O₂
• Purity: Min. 95%
• InChI: InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6H,4-5H2,1-3H3
• InChI key: InChIKey=WEUZZYGESXCTCU-UHFFFAOYSA-N
• SMILES: CC1CC(C)(C)CC(=O)C1=O