Propyl heptanoate
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Propyl heptanoate
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CAS No:
7778-87-2
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Formula:
C10H20O2
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Chemical Name:
Propyl heptanoate
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Synonyms:
Heptanoic acid,propyl ester;Propyl heptanoate;NSC 23045
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CAS No:
Description
Propyl heptanoate has a characteristic, strong, ether-like odor with a corresponding flavor reminiscent of grape.
Liquid|colourless liquid with an ethereal odour
Propyl heptanoate is a fatty acid ester.
Characteristics
26.30000
2.91000
Liquid
0.8823 g/cm3 @ Temp: 0 °C
-63.5 °C
208 °C
170 °F
1.417
soluble in most organic solvents; insoluble in water
Propyl heptanoate Use and Manufacturing
It is derived from the reaction of heptanoic acid and propanol in the presence of inorganic acid.
GB 2760-1996 stipulates the allowable food flavors. Mainly used to prepare fruit, coffee, cognac, rum and other flavors.
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:172.26
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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