1,4-cyclohexane dione
1,4-dioxocyclohexane
Identification
| Name | 1,4-cyclohexane dione |
| IUPAC | cyclohexane-1,4-dione |
| CAS Number | 637-88-7 |
| EINECS | 211-306-0 |
| FDA UNII | Search |
| Molecular Formula | C6 H8 O2 |
| Molecular Weight | 112.12816000 |
| MDL Number | MFCD00001606 |
| Nikkaji Number | J23.544J |
| Beilstein | 774152 |
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 SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for 1,4-cyclohexane dione usage levels up to | not for fragrance use. |
| Recommendation for 1,4-cyclohexane dione flavor usage levels up to | not for flavor use. |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Potential Uses
Natural Occurrence
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 Dâ (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.