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About This Item
Linear Formula:
C6H8(=O)2
CAS Number:
Molecular Weight:
112.13
EC Number:
207-980-0
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
385888
MDL number:
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
grade
purum
assay
≥97.0% (T)
ign. residue
~0.5%
mp
101-105 °C (lit.)
fluorescence
λex 375 nm; λem 458 nm in H2O (after derivatization of aldehydes)
suitability
suitable for fluorescence
storage temp.
2-8°C
Gene Information
human ... ACHE(43), BCHE(590), CES1(1066)
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)
Regulatory Information
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Tae-Joon Kim et al.
Pest management science, 60(9), 909-913 (2004-09-24)
A newly synthesized experimental compound, EK-2612 is one of the class of cyclohexane-1,3-diones which are commonly known to be grasskillers. A greenhouse study was conducted to evaluate the herbicidal performances of EK-2612 on several grass species in comparison with tralkoxydim
Sergey A Yermolayev et al.
Journal of combinatorial chemistry, 11(1), 44-46 (2008-12-09)
Many well-known drugs contain 2-pyridone and 2-quinolone scaffolds. In the current paper, a one-pot three-step microwave-assisted method for the synthesis of N1-substituted 2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarbonitrile derivatives was developed. Employing this protocol, we quickly generated 105 compounds library from 1,3-cyclohexanediones, dimethylformamide dimethylacetal, and
Xiao-Qing Zhao et al.
Talanta, 80(1), 242-245 (2009-09-29)
A rapid and sensitive flow injection fluorometry has been developed for the determination of formaldehyde based on the microwave on-line accelerating its Hantzsch reaction with cyclohexane-1,3-dione. Under the optimized conditions, the fluorescent intensity is proportional to formaldehyde content in the
Anthony Adeuya et al.
Rapid communications in mass spectrometry : RCM, 23(8), 1173-1182 (2009-03-18)
Monosaccharide C-glycoside ketones have been synthesized by aqueous-based Knoevenagel condensation of isotopically labeled and unlabeled aldoses with cyclic diketones, 5,5-dimethyl-1,3-cyclohexanedione (dimedone) and 1,3-cyclohexanedione (1,3-CHD). The reaction products and their corresponding acetylated analogs produce characteristic molecular adduct ions by matrix-assisted laser
Sergey Molchanov et al.
Acta biochimica Polonica, 56(3), 447-454 (2009-07-22)
Triketone herbicides are inhibitors of 4-hydroxyphenylpyruvate dioxygenase (HPPD), a key enzyme of the tyrosine transformation pathway, common for plants and animals. One of these herbicides, 2-[2-nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (NTBC), is so selective and efficient that it can be applied as a medicine
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