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About This Item
Linear Formula:
C6H8(=O)2
CAS Number:
Molecular Weight:
112.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-980-0
Beilstein/REAXYS Number:
385888
MDL number:
Assay:
97%
Form:
powder
Product Name
1,3-Cyclohexanedione, 97%
InChI key
HJSLFCCWAKVHIW-UHFFFAOYSA-N
InChI
1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
SMILES string
O=C1CCCC(=O)C1
assay
97%
form
powder
contains
1-3% sodium chloride as stabilizer
mp
101-105 °C (lit.)
storage temp.
2-8°C
Quality Level
Gene Information
human ... ACHE(43), BCHE(590), CES1(1066)
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Application
1,3-Cyclohexanedione can be used as a building block in the synthesis of:
- 9-substituted 1,8-dioxo-xanthenes by reacting with unactivated aldehydes via aldol condensation/ Michael addition reaction.
- [(1,2,3-triazol-4-yl)methoxy-phenyl]-2H-indazolo[2,1-b]phthalazine-trione derivatives by treating with phthalhydrazide, aromatic propargyloxy aldehydes, and azides via a four-component condensation reaction.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1
Storage Class
13 - Non Combustible Solids
wgk
WGK 2
ppe
Eyeshields, Gloves, type N95 (US)
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Reactions of methylated 5-chloro-1,2,3-thiadiazolium salts with cyclohexane-1,3-diones: X-ray crystal structure analysis of the thiapentalenic products
Gerrit L, et al.
Journal of the Chemical Society. Perkin Transactions 1, 3051-3051 (1993)
Alkylation of Cyclic 1,3-Diketones
Thennati R, et al.
Synthetic Communications, 23, 3095-3095 (1993)
Ytterbium triflate catalyzed synthesis of ?-enaminones
Epifano F, et al.
Tetrahedron Letters, 48(15), 2717-2720 (2007)
Clean synthesis of 1, 8-dioxo-dodecahydroxanthene derivatives catalyzed by polyaniline-p-toluenesulfonate salt in aqueous media
John A, et al.
J. Mol. Catal. A: Chem., 248(1-2), 121-125 (2006)
Ralph W Howard et al.
Comparative biochemistry and physiology. Part B, Biochemistry & molecular biology, 138(2), 193-206 (2004-06-15)
Cuticular lipid compositions of all life stages of the stored product moth Plodia interpunctella have been determined. Eggs and adults of P. interpunctella have cuticular lipids consisting solely of hydrocarbons. The composition of eggs and adult females is qualitatively nearly
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