35692-98-9

Basic information

• Product Name: 2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
• Synonyms: 2-cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl-; 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
• CAS NO: 35692-98-9
• Molecular Formula: C₉H₁₂O₃
• Molecular Weight: 168.1898
• Mol File: 35692-98-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 270°C at 760 mmHg
• Flash Point: 131.3°C
• Density: 1.167g/cm³
• Vapor Pressure: 0.00093mmHg at 25°C
• Refractive Index: 1.51
• CAS DataBase Reference: 2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione(35692-98-9)
• EPA Substance Registry System: 2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione(35692-98-9)

Safety Data

• Hazardous Substances Data: 35692-98-9(Hazardous Substances Data)

Upstream product

• 38284-11-6 1,3,3-Trimethyl-7-oxabicyclo<4.1.0>heptan-2,5-dion 

Downstream Products

• 80736-91-0 (4S)-3,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-one 
• 80736-99-8 (S)-2,2,4,6,6-Pentamethyl-7,7a-dihydro-1,3-benzodioxol-5-(6H)-on 
• 41654-27-7 2-methoxy-3,5,5-trimethyl-cyclohex-2-ene-1,4-dione 
• 882491-40-9 C₁₀H₁₄O₅S 

Relevant articles and documents

Algal carotenoids. Part 64. Structure and chemistry of 4-keto-19′-hexanoyloxyfucoxanthin with a novel carotenoid end group

The structural elucidation of a new carotenoid 4-keto-19′'-hexanoyloxyfucoxanthin 5 from Emiliania huxleyi is documented by chromatographic (HPLC, TLC), spectroscopic (VIS, EIMS, FABMS, FABMSMS, 2D 1H NMR) and chemical evidence. The novel carotenoid end group exhibits particular spectroscopic and chemical properties. In particular the reactions with base and acid are investigated. Due to a very weak molecular ion upon electron impact and facile cleavage to paracentrone 20 related fragments, the new carotenoid was previously misidentified as 19′-hexanoyloxyparacentrone 3-acetate 8, also found in other prymnesiophytes (haptophytes). This novel carotenoid readily undergoes cleavage to a C31-skeletal paracentrone 20 related product upon storage, preferably in methanol solution. The new end group represents a plausible precursor for C31-skeletal methyl ketone apocarotenoid metabolites in animals, and differs from the previously suggested precursor.