3-Methyl-1,2-cyclohexanedione
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3-Methyl-1,2-cyclohexanedione
structure -
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CAS No:
3008-43-3
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Formula:
C7H10O2
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Chemical Name:
3-Methyl-1,2-cyclohexanedione
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Synonyms:
1,2-Cyclohexanedione,3-methyl-;3-Methyl-1,2-cyclohexanedione;1-Methyl-2,3-cyclohexadione
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CAS No:
Description
1-Methyl-2,3-cyclohexadione has a burnt, sweet odor.
Solid|off white to light yellowish-brown powder with a burnt, sweet odour
Characteristics
34.1
0.94460
Solid
1.056g/cm3
62 °C
80-85 °C @ Press: 12 Torr
1.458
1.048e+005 mg/L @ 25 °C (est)|insoluble in water
Safety Information
NONH for all modes of transport
3
36/37/38
26-36/37/39
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Not Classified
3-Methyl-1,2-cyclohexanedione Use and Manufacturing
1,2-Cyclohexanedione, 3-methyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:126.15
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Exact Mass:126.068079557
Monoisotopic Mass:126.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:9
Complexity:149
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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