Pentyl octanoate
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Pentyl octanoate
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CAS No:
638-25-5
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Formula:
C13H26O2
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Chemical Name:
Pentyl octanoate
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Synonyms:
Octanoic acid,pentyl ester;Amyl octanoate;Amyl caprylate;Pentyl octanoate;n-Amyl caprylate;NSC 23940
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CAS No:
Description
Amyl octanoate has an odor suggestive of orris.
Liquid|colourless liquid with a fruity, orris odour
Pentyl octanoate is a fatty acid ester.
Characteristics
26.3
4.08030
0.86 g/mL at 25 °C(lit.)
-34.8 °C
260.2 °C
>230 °F
n20/D 1.4270(lit.)
soluble in alcohol, most fixed oils; slightly soluble in propylene glycol; insoluble in glycerol, water|1 ml in 7 ml 80% alcohol (in ethanol)
Pentyl octanoate Use and Manufacturing
It is formed by direct esterification of caprylic acid and n-pentanol in benzene solution with p-toluenesulfonic acid as a catalyst.
spices. Mainly used to prepare apple and mixed fruit flavors.
Octanoic acid, pentyl 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:214.34
XLogP3:4.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:214.193280068
Monoisotopic Mass:214.193280068
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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