1.02010-04-08 22:09:20 UTC2019-11-26 03:04:12 UTCFDB010854Hexyl formatePresent in fruits e.g. apple, grape, peach, strawberry, black tea, licorice and other foods. Flavouring ingredient. Hexyl formate is found in many foods, some of which are peach, apple, fruits, and root vegetables.FEMA 2570Formic acid, hexyl esterHexyl formateHexyl formiateHexyl methanoateN-hexyl formateN-hexyl methanoateC7H14O2130.1849130.099379692hexyl formateformic acid, hexyl ester629-33-4CCCCCCOC=OInChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3OUGPMNMLWKSBRI-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).Carboxylic acid estersOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivativesAliphatic acyclic compoundsCarbonyl compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundLiquidlogp2.59logs-2.11solubility1.00e+00 g/lmelting_point-62.6 oClogp2.09pka_strongest_basic-6.8iupachexyl formateaverage_mass130.1849mono_mass130.099379692smilesCCCCCCOC=OformulaC7H14O2inchiInChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3inchikeyOUGPMNMLWKSBRI-UHFFFAOYSA-Npolar_surface_area26.3refractivity36polarizability15.44rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr5762Specdb::MsIr5763Specdb::CMs9977Specdb::CMs28337Specdb::CMs101265Specdb::CMs174347Specdb::MsMs87087Specdb::MsMs87088Specdb::MsMs87089Specdb::MsMs149523Specdb::MsMs149524Specdb::MsMs149525Specdb::MsMs2777174Specdb::MsMs2777175Specdb::MsMs2777176Specdb::MsMs2902206Specdb::MsMs2902207Specdb::MsMs2902208HMDB32874#<Reference:0x0000555674023418>AppleType 1specificMalus pumila283210Black teaType 1FruitsUnknowngenericGreen teaType 1Herbal teaType 1PeachType 1specificPrunus persica3760PomesUnknowngenericRed teaType 1Root vegetablesUnknowngenericTeaType 1specificCamellia sinensis4442applebananasweetunripe plumflavor936A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.