1,4-cyclohexane dione

1,4-dioxocyclohexane

CAS: 637-88-7 C6 H8 O2 MW: 112.12816000

Identification

Name1,4-cyclohexane dione
IUPACcyclohexane-1,4-dione
CAS Number637-88-7
EINECS211-306-0
FDA UNIISearch
Molecular FormulaC6 H8 O2
Molecular Weight112.12816000
MDL NumberMFCD00001606
Nikkaji NumberJ23.544J
Beilstein774152

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 78.00 °C. @ 760.00 mm Hg
Boiling Point 226.70 °C. @ 760.00 mm Hg (est)
Vapor Pressure 0.100000 mmHg @ 25.00 °C. (est)
Flash Point 180.00 °F. TCC ( 82.20 °C. ) (est)
logP (o/w) -0.910 (est)
Soluble in water, 6.582e+005 mg/L @ 25 °C (est)

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryinformation only not used for fragrances or flavors
Recommendation for 1,4-cyclohexane dione usage levels up tonot for fragrance use.
Recommendation for 1,4-cyclohexane dione flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

cyclohexane-1,4-dione 1,4- cyclohexanedione 1,4- dioxocyclohexane PubMed: Pattern recognition analysis of chromatographic fingerprints of Crocus sativus L. secondary metabolites towards source identification and quality control. PubMed: Synthesis of Novel Nucleoside Analogues Built on a Bicyclo[4.1.0]heptane Scaffold. PubMed: Synthesis and Biological Activity of 25-Hydroxy-2-methylene-vitamin D3 analogues monohydroxylated in the A-ring. PubMed: 1,4-Cyclohexanedione. Composition, molecular structures, and internal dynamics of the vapor: an electron diffraction investigation augmented by molecular orbital calculations. PubMed: Identification of the odour-active cyclic diketone cis-2,6-dimethyl-1,4-cyclohexanedione in roasted Arabica coffee brew. PubMed: Organocatalytic asymmetric domino Michael-Henry reaction for the synthesis of substituted bicyclo[3.2.1]octan-2-ones. PubMed: Synthesis and biological activity of 25-hydroxy-2-methylene-vitamin D3 compounds. PubMed: 13,13-Dimethyl-des-C,D analogues of (20S)-1α,25-dihydroxy-2-methylene-19-norvitamin D₃ (2MD): total synthesis, docking to the VDR, and biological evaluation. PubMed: Are uncatalyzed bromate oscillators truly gas-free? PubMed: 1-desoxy analog of 2MD: synthesis and biological activity of (20S)-25-hydroxy-2-methylene-19-norvitamin D3. PubMed: Numerical investigation of photochemical behavior in bromate-1,4-cyclohexanedione reactions. PubMed: Breakup of propagating waves through the development of a transient unexcitable regime. PubMed: Three-dimensional spiral waves in an excitable reaction system: initiation and dynamics of scroll rings and scroll ring pairs. PubMed: Wave-pinned filaments of scroll waves. PubMed: Enantio- and diastereoselective total synthesis of (+)-panepophenanthrin, a ubiquitin-activating enzyme inhibitor, and biological properties of its new derivatives. PubMed: Scroll wave filaments terminate in the back of traveling fronts. PubMed: Propagation failures, breathing pulses, and backfiring in an excitable reaction-diffusion system. PubMed: Propagation failure dynamics of wave trains in excitable systems. PubMed: Complex behavior in coupled bromate oscillators. PubMed: Collective reaction behavior of an oscillating system coupled with an excitable reaction. PubMed: Studies on a total synthesis of the microbial immunosuppresive agent FR901483. PubMed: Syntheses of tetrahydrofurobenzofurans and dihydromethanobenzodioxepines from 5-hydroxy-3-methyl-3H-benzofuran-2-one. Rearrangement and ring expansion under reductive conditions on treatment with hydrides. PubMed: Novel A-ring analogs of the hormone 1alpha,25-dihydroxyvitamin D3: synthesis and preliminary biological evaluation. PubMed: Dynamics of excitation pulses with attractive interaction: kinematic analysis and chemical wave experiments. PubMed: pi-Facial stereoselectivity in Diels-Alder cycloadditions to 1-oxaspiro[4.5]deca-6,9-dien-8-one. The strong directive effect of ether oxygen in a cross-conjugated ketone setting. PubMed: The crystal structure and stereospecificity of levodione reductase from Corynebacterium aquaticum M-13. PubMed: Aromatization of 1,6,7,7a-tetrahydro-2H-indol-2-ones by a novel process. Preparation of key-intermediate methyl 1-benzyl-5-methoxy-1H-indole-3-acetate and the syntheses of serotonin, melatonin, and bufotenin. PubMed: Effect of gravity field on the nonequilibrium/nonlinear chemical oscillation reactions. PubMed: Nonequilibrium / nonlinear chemical oscillation in the virtual absence of gravity. PubMed: Cloning, sequence analysis, and expression in Escherichia coli of the gene encoding monovalent cation-activated levodione reductase from Corynebacterium aquaticum M-13. PubMed: Efficient asymmetric synthesis of alpha-alkylated 1, 4-cyclohexanedione derivatives, important chiral building blocks in the synthesis of natural products. PubMed: Purification and characterization of monovalent cation-activated levodione reductase from Corynebacterium aquaticum M-13. PubMed: Selective reversible and irreversible ligands for the kappa opioid receptor. PubMed: [Total synthesis of securinine]. PubMed: 2-Aminobenzoyl-CoA monooxygenase/reductase, a novel type of flavoenzyme. Identification of the reaction products. PubMed: 4-aryl-4-aminocyclohexanones and their derivatives, a novel class of analgesics. 3. m-Hydroxyphenyl derivates.