2-Heptyl butanoate
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2-Heptyl butanoate
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CAS No:
39026-94-3
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Formula:
C11H22O2
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Chemical Name:
2-Heptyl butanoate
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Synonyms:
Butanoic acid,1-methylhexyl ester;2-Heptyl butyrate;2-Heptyl butanoate;1-Methylhexyl butanoate;139241-40-0
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CAS No:
Characteristics
26.30000
3.29850
0.8726 (estimate)
-57.5°C (estimate)
112 °C @ Press: 20 Torr
82.9ºC
1.3943 (estimate)
insoluble in water; soluble in fats|Miscible at room temperature (in ethanol)
2-Heptyl butanoate Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:186.29
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:132
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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