3-Methyl-2,4-nonanedione
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3-Methyl-2,4-nonanedione
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CAS No:
113486-29-6
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Formula:
C10H18O2
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Chemical Name:
3-Methyl-2,4-nonanedione
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Synonyms:
2,4-Nonanedione,3-methyl-;3-Methyl-2,4-nonanedione;3-Methylnonan-2,4-dione
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CAS No:
Description
Colourless to yellowish liquid; Fruity aroma with vanilla top notes
3-Methyl-2,4-nonanedione is a beta-diketone.
Characteristics
34.14000
2.36090
0.904g/cm3
237.7ºC at 760 mmHg
86.8ºC
1.427
511.4 mg/L @ 25 °C (est)|Soluble in hexane, diethylether; insoluble in water|Soluble (in ethanol)
0.0442mmHg at 25°C
3-Methyl-2,4-nonanedione Use and Manufacturing
2,4-Nonanedione, 3-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:170.25
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:34.1
Heavy Atom Count:12
Complexity:161
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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