Isoamyl heptanoate
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Isoamyl heptanoate
structure -
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CAS No:
109-25-1
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Formula:
C12H24O2
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Chemical Name:
Isoamyl heptanoate
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Synonyms:
Heptanoic acid,3-methylbutyl ester;Heptanoic acid,isopentyl ester;Isopentyl heptanoate;3-Methylbutyl heptanoate;Isoamyl heptanoate
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CAS No:
Characteristics
26.30000
3.54610
0.869±0.06 g/cm3(Predicted)
231.9±8.0 °C(Predicted)
94ºC
1.428
0.0609mmHg at 25°C
Isoamyl heptanoate Use and Manufacturing
Heptanoic acid, 3-methylbutyl ester: INACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:200.32
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:200.177630004
Monoisotopic Mass:200.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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