1,4-cyclohexane dione
1,4-dioxocyclohexane
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      637-88-7 1,4-cyclohexanedione 95%
       
  • TCI AMERICA
    • TCI AMERICA
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      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
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      Product(s):
      C0730 1,4-Cyclohexanedione >98.0%(GC)
       
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CAS Number: 637-88-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 211-306-0
Nikkaji Web: J23.544J
Beilstein Number: 774152
MDL: MFCD00001606
XlogP3-AA: -0.60 (est)
Molecular Weight: 112.12816000
Formula: C6 H8 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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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)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
1,4-cyclohexanedione 95%
EMD Millipore
For experimental / research use only.
1,4-Cyclohexanedione
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,4-Cyclohexanedione 98%
TCI AMERICA
For experimental / research use only.
1,4-Cyclohexanedione >98.0%(GC)
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Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
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.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 637-88-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 12511
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 cyclohexane-1,4-dione
Chemidplus: 0000637887
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References:
 cyclohexane-1,4-dione
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 12511
Pubchem (sid): 134978528
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
Metabolomics Database: Search
UM BBD: Search
KEGG (GenomeNet): C08063
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2914.29.5000
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 cyclohexane-1,4-dione
1,4-cyclohexanedione
1,4-dioxocyclohexane
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Articles:
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.
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