Hexyl propanoate
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Hexyl propanoate
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CAS No:
2445-76-3
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Formula:
C9H18O2
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Chemical Name:
Hexyl propanoate
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Synonyms:
Propanoic acid,hexyl ester;Propionic acid,hexyl ester;Hexyl propionate;n-Hexyl propionate;Hexyl propanoate;1-Hexyl propionate;1-Hexyl propanoate
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CAS No:
Description
Hexyl propionate has an earthy, acrid odor suggestive of rotting fruits and a sweet, metallic-fruity taste
Liquid|colourless to pale yellow liquid with an earthy, acrid odour
Hexyl propanoate is a propanoate ester of hexan-1-ol. It has a role as a metabolite. It is a propanoate ester and a fatty acid ester. It derives from a hexan-1-ol.
Characteristics
26.30000
2.51990
Liquid
0.871 g/mL at 25 °C(lit.)
-57.5 °C
190 °C
149 °F
n20/D 1.413(lit.)
soluble in alcohol, propylene glycol; insoluble in water
Keep tightly closed. Keep away from heat and open flame. Store in a cool dry place.
0.557mmHg at 25°C
Hexyl propanoate Use and Manufacturing
It is derived from direct esterification of n-hexanol and propionic acid.
Spices for food.
Propanoic acid, hexyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:158.24
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:99.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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