Isobutyl heptanoate
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Isobutyl heptanoate
structure -
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CAS No:
7779-80-8
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Formula:
C11H22O2
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Chemical Name:
Isobutyl heptanoate
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Synonyms:
Heptanoic acid,2-methylpropyl ester;Heptanoic acid,isobutyl ester;Isobutyl heptanoate;Isobutyl heptylate;2-Methylpropyl heptanoate
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CAS No:
Description
Isobutyl heptanoate has a characteristic green odor and corresponding taste when freshly prepared.
colourless liquid with a green odour
Isobutyl enanthate is a fatty acid ester.
Characteristics
26.30000
3.15600
colourless liquid with a green odour
0.8593 g/cm3 @ Temp: 20 °C
-67.5°C (estimate)
208 °C
82.9ºC
1.425
soluble in most organic solvents
Isobutyl heptanoate Use and Manufacturing
It can be obtained by direct esterification of heptanoic acid and isobutanol. It can also be obtained by keeping heptanoic acid and isobutanol in the presence of de-esterified celandine (Chelidonium majus) seeds at 20°C for 3 days.
Spices for food.
Heptanoic acid, 2-methylpropyl ester: ACTIVE
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:186.29
XLogP3:3.9
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:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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