Dimedone
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Dimedone
structure -
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CAS No:
126-81-8
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Formula:
C8H12O2
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Chemical Name:
Dimedone
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Synonyms:
1,3-Cyclohexanedione,5,5-dimethyl-;5,5-Dimethyl-1,3-cyclohexanedione;Cyclomethone;Dimedon;Dimedone;1,1-Dimethyl-3,5-cyclohexanedione;5,5-Dimethyldihydroresorcinol;1,1-Dimethyl-3,5-diketocyclohexane;Medon;Methone;Lu 274;5,5-Dimethylhydroresorcinol;Methon;NSC 14984;NSC 17544;NSC 242994;NSC 43759;5,5-Dimethyl-1,3-cyclohexandione;5,5-Dimethyl-1,3-dioxocyclohexane
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CAS No:
Dimedone Basic Attributes
140.18
140.18
471489
204-804-4
B2B5DSX2FC
242994|43759|17544|14984
DTXSID8021987
29142900
Characteristics
34.1
0.8
Clear colorless to yellow Liquid
1.0373 (rough estimate)
150 °C (decomp)
216.69°C (rough estimate)
85.1±19.6 °C
1.4787 (estimate)
H2O: 0.416 g/100 mL (25 ºC)
2-8°C
0.0042mmHg at 25°C
Safety Information
NONH for all modes of transport
2
36/37/38
24/25-36-26
GV0345000
Xi
Stable, but may be light sensitive. Incompatible with strong oxidizing agents.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Dimedone Use and Manufacturing
It is prepared by reacting diethyl malonate with isopropene acetone and then with potassium hydroxide.
Used in the synthesis of fused 3-methylfurans via furannulation.
1,3-Cyclohexanedione, 5,5-dimethyl-: ACTIVE
Computed Properties
Molecular Weight:140.18
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Exact Mass:140.083729621
Monoisotopic Mass:140.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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