2-Methyl-1,3-cyclohexanedione
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2-Methyl-1,3-cyclohexanedione
structure -
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CAS No:
1193-55-1
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Formula:
C7H10O2
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Chemical Name:
2-Methyl-1,3-cyclohexanedione
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Synonyms:
1,3-Cyclohexanedione,2-methyl-;2-Methyl-1,3-cyclohexanedione;1-Methyl-2,6-cyclohexanedione;NSC 54460;2-Methyl-1,3-cyclohexandione;153563-95-2
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CAS No:
2-Methyl-1,3-cyclohexanedione Basic Attributes
126.1531
126.15
1281598
214-773-9
54460
DTXSID90152406
29142900
Characteristics
34.1
0.6
Off-white to salmon to pale brown Powder, Crystals or Crystalline Powder
1.0579 (rough estimate)
205-207 °C
194.28°C (rough estimate)
85.9±19.6 °C
1.4660 (estimate)
H2O: INsoluble ;methanol: 0.1 g/mL, clear
0-6°C
0.0157mmHg at 25°C
Safety Information
NONH for all modes of transport
3
22-24/25
Xi
Stable under normal temperatures and pressures. Hygroscopic: absorbs moisture or water from the air.
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Methyl-1,3-cyclohexanedione Use and Manufacturing
In order to 1, 3-cyclohexanedione, tert-butyl peroxybenzoate is used as a raw material, the reaction steps are as follows:In the reaction flask by adding 1, 3-cyclohexanedione (0.11g, 1mmol), tert-butyl peroxybenzoate (0.58g, 3mmol), CuCl (0.01g, 0 . 1mmol) and 2 ml acetic acid, 120 °C reaction;TLC until the complete end tracking of the reaction;After the reaction the crude product by column chromatography (petroleum ether: ethyl acetate = 40:1), to obtain the target product (yield 70percent).
An important starting material, exemplified in a formal synthesis of acorone.1
Computed Properties
Molecular Weight:126.15
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Exact Mass:126.068079557
Monoisotopic Mass:126.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:9
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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