765-87-7,MFCD00001648
Catalog No.:AA00ICO2

765-87-7 | 1,2-Cyclohexanedione

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250mg
96%
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$7.00   $5.00
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1g
96%
in stock  
$11.00   $8.00
- +
5g
96%
in stock  
$17.00   $12.00
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10g
96%
in stock  
$33.00   $23.00
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25g
96%
in stock  
$67.00   $47.00
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100g
96%
in stock  
$266.00   $186.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ICO2
Chemical Name:
1,2-Cyclohexanedione
CAS Number:
765-87-7
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD00001648
SMILES:
C1CCC(=O)C(=O)C1
Properties
Properties
 
BP:
194.0°C  
Form:
Solid  
MP:
35 °C  
Refractive Index:
1.518-1.52  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
111  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.1  

Literature

Title: Base-catalyzed dehydration of 3-substituted benzene cis-1,2-dihydrodiols: stabilization of a cyclohexadienide anion intermediate by negative aromatic hyperconjugation.

Journal: Journal of the American Chemical Society 20120829

Title: Crystal structure of a ring-cleaving cyclohexane-1,2-dione hydrolase, a novel member of the thiamine diphosphate enzyme family.

Journal: The FEBS journal 20120401

Title: Three novel Bi(III) complexes with in situ generated anilate ligands: unusual oxidation of cyclohexanedione to dihydroxy benzoquinone.

Journal: Dalton transactions (Cambridge, England : 2003) 20120207

Title: Several generations of chemoenzymatic synthesis of oseltamivir (Tamiflu): evolution of strategy, quest for a process-quality synthesis, and evaluation of efficiency metrics.

Journal: The Journal of organic chemistry 20111216

Title: Mechanism of resistance to ACCase-inhibiting herbicides in wild oat (Avena fatua ) from Latin America.

Journal: Journal of agricultural and food chemistry 20110713

Title: Theoretical study of oxidation of cyclohexane diol to adipic anhydride by [Ru(IV)(O)(tpa)(H2O)]2+ complex (tpa ═ tris(2-pyridylmethyl)amine).

Journal: Inorganic chemistry 20110704

Title: Bis[bis-(4,4'-dimethyl-2,2'-bipyridine)(10,11,12,13-tetra-hydro-dipyrido[3,2-a:2',3'-c]phenazine)ruthenium(II)] tetra-kis(perchlorate) acetonitrile disolvate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100501

Title: Cooperative strengthening of an intramolecular O-H...O hydrogen bond by a weak C-H...O counterpart: matrix-isolation infrared spectroscopy and quantum chemical studies on 3-methyl-1,2-cyclohexanedione.

Journal: The journal of physical chemistry. A 20100204

Title: Bis(2,9-dimethyl-1,10-phenanthroline-κN,N')(10,11,12,13-tetra-hydro-dipyrido[3,2-a:2',3'-c]phenazine-κN,N)ruthenium(II) bis-(perchlorate) dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: Electron transfer as a potential cause of diacetyl toxicity in popcorn lung disease.

Journal: Reviews of environmental contamination and toxicology 20100101

Title: Multifaceted approach to resveratrol bioactivity: Focus on antioxidant action, cell signaling and safety.

Journal: Oxidative medicine and cellular longevity 20100101

Title: Arginine, a key residue for the enhancing ability of an antifreeze protein of the beetle Dendroides canadensis.

Journal: Biochemistry 20091013

Title: Total synthesis of the strychnos alkaloid (+)-minfiensine: tandem enantioselective intramolecular Heck-iminium ion cyclization.

Journal: Journal of the American Chemical Society 20080416

Title: Molecular evolution of B6 enzymes: binding of pyridoxal-5'-phosphate and Lys41Arg substitution turn ribonuclease A into a model B6 protoenzyme.

Journal: BMC biochemistry 20080101

Title: Diversity-oriented synthesis of enantiomerically pure steroidal tetracycles employing Stille/Diels-Alder reaction sequences.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20080101

Title: Cationic rhodium(I)/segphos-catalyzed cycloisomerization of 1,6- and 1,7-diynes in the presence of 1,2-cyclohexanedione.

Journal: Organic letters 20070927

Title: Semiconductor surface-induced 1,3-hydrogen shift: the role of covalent vs zwitterionic character.

Journal: Journal of the American Chemical Society 20060830

Title: Reduction of activated carbonyl groups by alkyl phosphines: formation of alpha-hydroxy esters and ketones.

Journal: Chemical communications (Cambridge, England) 20060321

Title: The molecular bases for resistance to acetyl co-enzyme A carboxylase (ACCase) inhibiting herbicides in two target-based resistant biotypes of annual ryegrass (Lolium rigidum).

Journal: Planta 20060201

Title: Basis of selectivity of cyhalofop-butyl in Oryza sativa L.

Journal: Planta 20060101

Title: Key role of glutamic acid for the cytotoxic activity of the cyclotide cycloviolacin O2.

Journal: Cellular and molecular life sciences : CMLS 20060101

Title: Decrease in pH strongly enhances binding of native, proteolyzed, lipolyzed, and oxidized low density lipoprotein particles to human aortic proteoglycans.

Journal: The Journal of biological chemistry 20051111

Title: Structure-sweetness relationship in egg white lysozyme: role of lysine and arginine residues on the elicitation of lysozyme sweetness.

Journal: Chemical senses 20051001

Title: Synthesis of new dihydropyrazines with DNA strand-breakage activity.

Journal: Chemical & pharmaceutical bulletin 20051001

Title: Sequential catalytic asymmetric Heck-iminium ion cyclization: enantioselective total synthesis of the Strychnos alkaloid minfiensine.

Journal: Journal of the American Chemical Society 20050727

Title: A one-pot isomerization-arylation of 2,3-epoxycyclohexanone under controlled microwave heating.

Journal: The Journal of organic chemistry 20050610

Title: The receptor binding domain of apolipoprotein E is responsible for its antioxidant activity.

Journal: Biochemistry 20050524

Title: Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

Journal: Journal of medicinal chemistry 20050421

Title: Synthesis and antiapoptotic activity of a novel analogue of the neutral sphingomyelinase inhibitor scyphostatin.

Journal: Chembiochem : a European journal of chemical biology 20050401

Title: Chemical modification of arginine residues of Notechis scutatus scutatus notexin.

Journal: Toxicon : official journal of the International Society on Toxinology 20041001

Title: EK-2612, a new cyclohexane-1,3-dione possessing selectivity between rice (Oryza sativa) and barnyardgrass (Echinochloa crus-galli).

Journal: Pest management science 20040901

Title: Use of resistant ACCase mutants to screen for novel inhibitors against resistant and susceptible forms of ACCase from grass weeds.

Journal: Journal of agricultural and food chemistry 20040811

Title: Suppressive activity of protease inhibitors from buckwheat seeds against human T-acute lymphoblastic leukemia cell lines.

Journal: Applied biochemistry and biotechnology 20040501

Title: Streptavidin in antibody pretargeting. 4. Site-directed mutation provides evidence that both arginine and lysine residues are involved in kidney localization.

Journal: Bioconjugate chemistry 20040101

Title: Cyclohexanedione herbicides are inhibitors of rat heart acetyl-CoA carboxylase.

Journal: Bioorganic & medicinal chemistry letters 20031006

Title: Use of plant cell cultures to study graminicide effects on lipid metabolism.

Journal: Phytochemistry 20030701

Title: An isoleucine residue within the carboxyl-transferase domain of multidomain acetyl-coenzyme A carboxylase is a major determinant of sensitivity to aryloxyphenoxypropionate but not to cyclohexanedione inhibitors.

Journal: Plant physiology 20030701

Title: In vitro degradation of willow salicylates.

Journal: Journal of chemical ecology 20030501

Title: Solid-phase fluoroimmunoassay for the determination of mesotrione--a novel triketone herbicide--in water with direct measurement of the fluorescence onto the solid support.

Journal: The Analyst 20030401

Title: Characterisation of target-site resistance to ACCase-inhibiting herbicides in the weed Alopecurus myosuroides (black-grass).

Journal: Pest management science 20030201

Title: Electron-beam treatment of aromatic hydrocarbons that can be air-stripped from contaminated groundwater. 1. Model studies in aqueous solution.

Journal: Environmental science & technology 20030115

Title: Oxidative cleavage of the C-C bond of 3,6-dialkylcyclohexane-1,2-diones by cell suspension cultures of Marchantia polymorpha.

Journal: Phytochemistry 20021101

Title: Synthesis of 7-substituted benzolactam-V8s and their selectivity for protein kinase C isozymes.

Journal: Organic letters 20020711

Title: Synthesis of eight- and nine-membered carbocycles through a ring-closing metathesis/ring fragmentation strategy: a rapid and versatile approach to bicyclo[6.4.0]- and bicyclo[7.4.0]alkene ring systems.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20020702

Title: Effects of modifications of alpha-crystallin on its chaperone and other properties.

Journal: The Biochemical journal 20020615

Title: PCR-based detection of resistance to acetyl-CoA carboxylase-inhibiting herbicides in black-grass (Alopecurus myosuroides Huds) and ryegrass (Lolium rigidum gaud).

Journal: Pest management science 20020501

Title: An isoleucine-leucine substitution in chloroplastic acetyl-CoA carboxylase from green foxtail (Setaria viridis L. Beauv.) is responsible for resistance to the cyclohexanedione herbicide sethoxydim.

Journal: Planta 20020101

Title: Streptavidin in antibody pretargeting. 3. Comparison of biotin binding and tissue localization of 1,2-cyclohexanedione and succinic anhydride modified recombinant streptavidin.

Journal: Bioconjugate chemistry 20020101

Title: Intercalation of multiple carbon atoms between the carbonyls of alpha-diketones.

Journal: The Journal of organic chemistry 20011005

Title: Differences in host use efficiency of larvae of a generalist moth, Operophtera brumata on three chemically divergent Salix species.

Journal: Journal of chemical ecology 20010801

Title: Resistance to ACCase-inhibiting herbicides and isoproturon in UK populations of Lolium multiflorum: mechanisms of resistance and implications for control.

Journal: Pest management science 20010701

Title: Polyclonal-based ELISA for the identification of cyclohexanedione analogs that inhibit maize acetyl coenzyme-A carboxylase.

Journal: Journal of AOAC International 20010101

Title: Evidence for an essential arginine in the flavoprotein nitroalkane oxidase.

Journal: Journal of enzyme inhibition 20010101

Title: Chemical modifications of Serratia marcescens anthranilate synthase component I.

Journal: The Journal of biological chemistry 19811010

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Tags:765-87-7 Molecular Formula|765-87-7 MDL|765-87-7 SMILES|765-87-7 1,2-Cyclohexanedione
Catalog No.: AA00ICO2
765-87-7,MFCD00001648
765-87-7 | 1,2-Cyclohexanedione
Pack Size: 250mg
Purity: 96%
in stock
$7.00 $5.00
Pack Size: 1g
Purity: 96%
in stock
$11.00 $8.00
Pack Size: 5g
Purity: 96%
in stock
$17.00 $12.00
Pack Size: 10g
Purity: 96%
in stock
$33.00 $23.00
Pack Size: 25g
Purity: 96%
in stock
$67.00 $47.00
Pack Size: 100g
Purity: 96%
in stock
$266.00 $186.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA00ICO2
Chemical Name: 1,2-Cyclohexanedione
CAS Number: 765-87-7
Molecular Formula: C6H8O2
Molecular Weight: 112.1265
MDL Number: MFCD00001648
SMILES: C1CCC(=O)C(=O)C1
Properties
BP: 194.0°C  
Form: Solid  
MP: 35 °C  
Refractive Index: 1.518-1.52  
Storage: Inert atmosphere;-20 ℃;  
Complexity: 111  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.1  
Literature fold

Title: Base-catalyzed dehydration of 3-substituted benzene cis-1,2-dihydrodiols: stabilization of a cyclohexadienide anion intermediate by negative aromatic hyperconjugation.

Journal: Journal of the American Chemical Society20120829

Title: Crystal structure of a ring-cleaving cyclohexane-1,2-dione hydrolase, a novel member of the thiamine diphosphate enzyme family.

Journal: The FEBS journal20120401

Title: Three novel Bi(III) complexes with in situ generated anilate ligands: unusual oxidation of cyclohexanedione to dihydroxy benzoquinone.

Journal: Dalton transactions (Cambridge, England : 2003)20120207

Title: Several generations of chemoenzymatic synthesis of oseltamivir (Tamiflu): evolution of strategy, quest for a process-quality synthesis, and evaluation of efficiency metrics.

Journal: The Journal of organic chemistry20111216

Title: Mechanism of resistance to ACCase-inhibiting herbicides in wild oat (Avena fatua ) from Latin America.

Journal: Journal of agricultural and food chemistry20110713

Title: Theoretical study of oxidation of cyclohexane diol to adipic anhydride by [Ru(IV)(O)(tpa)(H2O)]2+ complex (tpa ═ tris(2-pyridylmethyl)amine).

Journal: Inorganic chemistry20110704

Title: Bis[bis-(4,4'-dimethyl-2,2'-bipyridine)(10,11,12,13-tetra-hydro-dipyrido[3,2-a:2',3'-c]phenazine)ruthenium(II)] tetra-kis(perchlorate) acetonitrile disolvate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online20100501

Title: Cooperative strengthening of an intramolecular O-H...O hydrogen bond by a weak C-H...O counterpart: matrix-isolation infrared spectroscopy and quantum chemical studies on 3-methyl-1,2-cyclohexanedione.

Journal: The journal of physical chemistry. A20100204

Title: Bis(2,9-dimethyl-1,10-phenanthroline-κN,N')(10,11,12,13-tetra-hydro-dipyrido[3,2-a:2',3'-c]phenazine-κN,N)ruthenium(II) bis-(perchlorate) dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online20100201

Title: Electron transfer as a potential cause of diacetyl toxicity in popcorn lung disease.

Journal: Reviews of environmental contamination and toxicology20100101

Title: Multifaceted approach to resveratrol bioactivity: Focus on antioxidant action, cell signaling and safety.

Journal: Oxidative medicine and cellular longevity20100101

Title: Arginine, a key residue for the enhancing ability of an antifreeze protein of the beetle Dendroides canadensis.

Journal: Biochemistry20091013

Title: Total synthesis of the strychnos alkaloid (+)-minfiensine: tandem enantioselective intramolecular Heck-iminium ion cyclization.

Journal: Journal of the American Chemical Society20080416

Title: Molecular evolution of B6 enzymes: binding of pyridoxal-5'-phosphate and Lys41Arg substitution turn ribonuclease A into a model B6 protoenzyme.

Journal: BMC biochemistry20080101

Title: Diversity-oriented synthesis of enantiomerically pure steroidal tetracycles employing Stille/Diels-Alder reaction sequences.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20080101

Title: Cationic rhodium(I)/segphos-catalyzed cycloisomerization of 1,6- and 1,7-diynes in the presence of 1,2-cyclohexanedione.

Journal: Organic letters20070927

Title: Semiconductor surface-induced 1,3-hydrogen shift: the role of covalent vs zwitterionic character.

Journal: Journal of the American Chemical Society20060830

Title: Reduction of activated carbonyl groups by alkyl phosphines: formation of alpha-hydroxy esters and ketones.

Journal: Chemical communications (Cambridge, England)20060321

Title: The molecular bases for resistance to acetyl co-enzyme A carboxylase (ACCase) inhibiting herbicides in two target-based resistant biotypes of annual ryegrass (Lolium rigidum).

Journal: Planta20060201

Title: Basis of selectivity of cyhalofop-butyl in Oryza sativa L.

Journal: Planta20060101

Title: Key role of glutamic acid for the cytotoxic activity of the cyclotide cycloviolacin O2.

Journal: Cellular and molecular life sciences : CMLS20060101

Title: Decrease in pH strongly enhances binding of native, proteolyzed, lipolyzed, and oxidized low density lipoprotein particles to human aortic proteoglycans.

Journal: The Journal of biological chemistry20051111

Title: Structure-sweetness relationship in egg white lysozyme: role of lysine and arginine residues on the elicitation of lysozyme sweetness.

Journal: Chemical senses20051001

Title: Synthesis of new dihydropyrazines with DNA strand-breakage activity.

Journal: Chemical & pharmaceutical bulletin20051001

Title: Sequential catalytic asymmetric Heck-iminium ion cyclization: enantioselective total synthesis of the Strychnos alkaloid minfiensine.

Journal: Journal of the American Chemical Society20050727

Title: A one-pot isomerization-arylation of 2,3-epoxycyclohexanone under controlled microwave heating.

Journal: The Journal of organic chemistry20050610

Title: The receptor binding domain of apolipoprotein E is responsible for its antioxidant activity.

Journal: Biochemistry20050524

Title: Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

Journal: Journal of medicinal chemistry20050421

Title: Synthesis and antiapoptotic activity of a novel analogue of the neutral sphingomyelinase inhibitor scyphostatin.

Journal: Chembiochem : a European journal of chemical biology20050401

Title: Chemical modification of arginine residues of Notechis scutatus scutatus notexin.

Journal: Toxicon : official journal of the International Society on Toxinology20041001

Title: EK-2612, a new cyclohexane-1,3-dione possessing selectivity between rice (Oryza sativa) and barnyardgrass (Echinochloa crus-galli).

Journal: Pest management science20040901

Title: Use of resistant ACCase mutants to screen for novel inhibitors against resistant and susceptible forms of ACCase from grass weeds.

Journal: Journal of agricultural and food chemistry20040811

Title: Suppressive activity of protease inhibitors from buckwheat seeds against human T-acute lymphoblastic leukemia cell lines.

Journal: Applied biochemistry and biotechnology20040501

Title: Streptavidin in antibody pretargeting. 4. Site-directed mutation provides evidence that both arginine and lysine residues are involved in kidney localization.

Journal: Bioconjugate chemistry20040101

Title: Cyclohexanedione herbicides are inhibitors of rat heart acetyl-CoA carboxylase.

Journal: Bioorganic & medicinal chemistry letters20031006

Title: Use of plant cell cultures to study graminicide effects on lipid metabolism.

Journal: Phytochemistry20030701

Title: An isoleucine residue within the carboxyl-transferase domain of multidomain acetyl-coenzyme A carboxylase is a major determinant of sensitivity to aryloxyphenoxypropionate but not to cyclohexanedione inhibitors.

Journal: Plant physiology20030701

Title: In vitro degradation of willow salicylates.

Journal: Journal of chemical ecology20030501

Title: Solid-phase fluoroimmunoassay for the determination of mesotrione--a novel triketone herbicide--in water with direct measurement of the fluorescence onto the solid support.

Journal: The Analyst20030401

Title: Characterisation of target-site resistance to ACCase-inhibiting herbicides in the weed Alopecurus myosuroides (black-grass).

Journal: Pest management science20030201

Title: Electron-beam treatment of aromatic hydrocarbons that can be air-stripped from contaminated groundwater. 1. Model studies in aqueous solution.

Journal: Environmental science & technology20030115

Title: Oxidative cleavage of the C-C bond of 3,6-dialkylcyclohexane-1,2-diones by cell suspension cultures of Marchantia polymorpha.

Journal: Phytochemistry20021101

Title: Synthesis of 7-substituted benzolactam-V8s and their selectivity for protein kinase C isozymes.

Journal: Organic letters20020711

Title: Synthesis of eight- and nine-membered carbocycles through a ring-closing metathesis/ring fragmentation strategy: a rapid and versatile approach to bicyclo[6.4.0]- and bicyclo[7.4.0]alkene ring systems.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20020702

Title: Effects of modifications of alpha-crystallin on its chaperone and other properties.

Journal: The Biochemical journal20020615

Title: PCR-based detection of resistance to acetyl-CoA carboxylase-inhibiting herbicides in black-grass (Alopecurus myosuroides Huds) and ryegrass (Lolium rigidum gaud).

Journal: Pest management science20020501

Title: An isoleucine-leucine substitution in chloroplastic acetyl-CoA carboxylase from green foxtail (Setaria viridis L. Beauv.) is responsible for resistance to the cyclohexanedione herbicide sethoxydim.

Journal: Planta20020101

Title: Streptavidin in antibody pretargeting. 3. Comparison of biotin binding and tissue localization of 1,2-cyclohexanedione and succinic anhydride modified recombinant streptavidin.

Journal: Bioconjugate chemistry20020101

Title: Intercalation of multiple carbon atoms between the carbonyls of alpha-diketones.

Journal: The Journal of organic chemistry20011005

Title: Differences in host use efficiency of larvae of a generalist moth, Operophtera brumata on three chemically divergent Salix species.

Journal: Journal of chemical ecology20010801

Title: Resistance to ACCase-inhibiting herbicides and isoproturon in UK populations of Lolium multiflorum: mechanisms of resistance and implications for control.

Journal: Pest management science20010701

Title: Polyclonal-based ELISA for the identification of cyclohexanedione analogs that inhibit maize acetyl coenzyme-A carboxylase.

Journal: Journal of AOAC International20010101

Title: Evidence for an essential arginine in the flavoprotein nitroalkane oxidase.

Journal: Journal of enzyme inhibition20010101

Title: Chemical modifications of Serratia marcescens anthranilate synthase component I.

Journal: The Journal of biological chemistry19811010

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