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Substrate Report for: Propyl-hexanoate

Name Class
Propyl-hexanoateTypeHexanoate
Alkyl ester
Other_Name (5)
Chemical_Nomenclaturepropyl hexanoate
FormulaC9H18O2
CAS_number626-77-7
MW158.24
PaperMartinez-Martinez_2018_ACS.Chem.Biol_13_225
CommentPropyl hexanoate is found in alcoholic beverages. Propyl hexanoate is a flavouring ingredient. Propyl hexanoate is a constituent of apple, apricot, grapes, passion fruit, starfruit, mountain papaya, other fruits, cheeses and various alcoholic beverages.
CID12293
InChIKeyHTUIWRWYYVBCFT-UHFFFAOYSA-N
CanonicalSMILESCCCCCC(=O)OCCC
InChIInChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3

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