1.02010-04-08 22:14:58 UTC2020-09-17 15:34:55 UTCFDB020353Butyl formateButyl formate, also known as butyl methanoate belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carboxyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). A formate ester resulting from the formal condensation of formic acid with the hydroxy group of butan-1-ol. Butyl formate is a brandy, fruity, and plum tasting compound. Butyl formate has been detected, but not quantified, in blackcurrants and pineapples.Butyl formateButyl methanoateButylester kyseliny mravenciFEMA 2916Formic acid butyl esterFormic acid, butyl esterHCOO(CH2)3CH3N-butyl formaten-Butyl formate [UN1128] [Flammable liquid]N-butyl methanoateC5H10O2102.1317102.068079564butyl formateN-butylformate592-84-7CCCCOC=OInChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3NMJJFJNHVMGPGM-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 compoundlogp1.53logs-0.70solubility2.04e+01 g/lmelting_pointMp -91.5°logp1.2pka_strongest_basic-6.8iupacbutyl formateaverage_mass102.1317mono_mass102.068079564smilesCCCCOC=OformulaC5H10O2inchiInChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3inchikeyNMJJFJNHVMGPGM-UHFFFAOYSA-Npolar_surface_area26.3refractivity26.8polarizability11.33rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1736Specdb::CMs10224Specdb::CMs27190Specdb::CMs28332Specdb::CMs102156Specdb::CMs102157Specdb::CMs163514Specdb::MsIr9003Specdb::MsIr9004Specdb::NmrOneD4194Specdb::NmrOneD42022Specdb::NmrOneD42023Specdb::NmrOneD42024Specdb::NmrOneD42025Specdb::NmrOneD42026Specdb::NmrOneD42027Specdb::NmrOneD42028Specdb::NmrOneD42029Specdb::NmrOneD42030Specdb::NmrOneD42031Specdb::NmrOneD42032Specdb::NmrOneD42033Specdb::NmrOneD42034Specdb::NmrOneD42035Specdb::NmrOneD42036Specdb::NmrOneD42037Specdb::NmrOneD42038Specdb::NmrOneD42039Specdb::NmrOneD42040Specdb::NmrOneD42041Specdb::MsMs85578Specdb::MsMs85579Specdb::MsMs85580Specdb::MsMs147699Specdb::MsMs147700Specdb::MsMs147701Specdb::MsMs2821143Specdb::MsMs2821144Specdb::MsMs2821145Specdb::MsMs2857068Specdb::MsMs2857069Specdb::MsMs2857070HMDB40575#<Reference:0x0000555674b59418>BlackcurrantType 1specificRibes nigrum78511PineappleType 1specificAnanas comosus4615brandyfruityplumrum