| Identification | More | [Name]
1,2-Cyclohexanedione | [CAS]
765-87-7 | [Synonyms]
1,2-CYCLOHEXANDIONE
1,2-CYCLOHEXANEDIONE
2-HYDROXY-2-CYCLOHEXEN-1-ONE
2-HYDROXY-CYCLOHEX-2-ENONE
AKOS 197
DIHYDROCATECHOL
1,2-Cyclohexadione
1,2-Dioxocyclohexane
Cyclohexane-1,2-dione
Cyclohexane-1,2-dione, tech
1,2-Cyclohexanedione, 98+%
1,2-Cyclohexanedione,97% | [EINECS(EC#)]
212-155-3 | [Molecular Formula]
C6H8O2 | [MDL Number]
MFCD04971978 | [Molecular Weight]
112.13 | [MOL File]
765-87-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid after melting | [Melting point ]
34-38 °C (lit.) | [Boiling point ]
193-195 °C (lit.) | [density ]
1,118 g/cm3 | [FEMA ]
3458 | [refractive index ]
1.518-1.52
| [Fp ]
184 °F
| [storage temp. ]
0-6°C | [solubility ]
Soluble in DMSO | [form ]
Liquid After Melting | [color ]
Clear yellow | [Odor]
at 10.00 % in dipropylene glycol. sweet acorn nut skin maple caramel brothy | [Odor Type]
nutty | [Water Solubility ]
Soluble | [JECFA Number]
424 | [BRN ]
507419 | [InChI]
1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2 | [InChIKey]
OILAIQUEIWYQPH-UHFFFAOYSA-N | [SMILES]
O=C1CCCCC1=O | [LogP]
0.252 (est) | [CAS DataBase Reference]
765-87-7(CAS DataBase Reference) | [NIST Chemistry Reference]
c-hexane-1,2-dione(765-87-7) | [EPA Substance Registry System]
765-87-7(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P271-P280 | [Hazard Codes ]
Xi | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [RTECS ]
GV0340000
| [F ]
8 | [Hazard Note ]
Irritant | [TSCA ]
Yes | [HS Code ]
29142990 | [Storage Class]
11 - Combustible Solids |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Cyclohexanone-->Selenium dioxide | [Preparation Products]
1,2-Cyclohexanedione dioxime-->1,2,3,4-tetrahydro-Phenazine-->Adipaldehyde-->6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one-->2H-Pyran-2-one, tetrahydro-6-pentadecyl--->6-Nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine-->1-Methyl-decahydro-quinoxaline-->2-Hydroxy-3-p-tolyl-cyclohex-2-enone |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow liquid after melting | [Uses]
1,2-Cyclohexanedione have been used as a substrate to study enzyme cyclohexane-1,2-dione hydrolase as a new tool to degrade alicyclic compounds. | [Definition]
ChEBI: Cyclohexane-1,2-dione is a cyclohexanedione carrying oxo substituents at positions 1 and 2. | [Reactions]
1,2-Cyclohexanedione may effectively occupy vacant coordination sites and thus promote the present cycloisomerization[1]. Tanaka et al. research the catalytic cycloisomerization of 1,6- and 1,7-diynes leading to trienes and vinylpyrroles by using a cationic rhodium(I)/Segphos complex (2.5-10 mol %) and 1,2-cyclohexanedione (100 mol %).
| [Synthesis Reference(s)]
Journal of the American Chemical Society, 73, p. 4658, 1951 DOI: 10.1021/ja01154a048
Tetrahedron Letters, 25, p. 603, 1984 DOI: 10.1016/S0040-4039(00)99949-0
The Journal of Organic Chemistry, 39, p. 3295, 1974 DOI: 10.1021/jo00936a034 | [References]
[1] Ken Tanaka, Masao Hirano, Yousuke Otake. “Cationic Rhodium(I)/Segphos-Catalyzed Cycloisomerization of 1,6- and 1,7-Diynes in the Presence of 1,2-Cyclohexanedione.” Organic Letters 9 20 (2007): 3953–3956.
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