1.02010-04-08 22:05:42 UTC2020-09-17 15:35:31 UTCFDB003229Methyl pentanoateMethyl valerate also known as methyl pentanoate belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Fatty acid methyl esters are used to produce detergents and biodiesel. In fact, most of the molecules in biodiesel are fatty acid methyl esters, usually obtained from vegetable oils by transesterification. Methyl valerate is a very hydrophobic molecule, practically insoluble in water. In a very pure form (greater than 99.5%) it is used as a plasticizer in the manufacture of plastics. Methyl pentanoate is commonly used in fragrances, beauty care, soap, and laundry detergents. Methyl pentanoate is also used as a flavouring agent. It is a sweet, apple, and fruity tasting compound. Methyl pentanoate has been detected, but not quantified, in several different foods, such as tea, herbs and spices, asian pears, alcoholic beverages, and coffee and coffee products.FEMA 2752Methyl ester of pentanoic acidMethyl n-valerateMethyl pentanoateMethyl valerateMethyl valerianateN-valeric acid methyl esterPentanoic acid, methyl esterValeric acid methyl esterValeric acid, methyl esterC6H12O2116.1583116.083729628methyl pentanoatemethyl valerate624-24-8CCCCC(=O)OCInChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3HNBDRPTVWVGKBR-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.Fatty acid methyl estersOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acid estersAliphatic acyclic compoundsCarbonyl compoundsHydrocarbon derivativesMethyl estersMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid methyl esterHydrocarbon derivativeMethyl esterMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundLiquidlogp1.75logs-1.19solubility7.51e+00 g/llogp1.51pka_strongest_basic-7iupacmethyl pentanoateaverage_mass116.1583mono_mass116.083729628smilesCCCCC(=O)OCformulaC6H12O2inchiInChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3inchikeyHNBDRPTVWVGKBR-UHFFFAOYSA-Npolar_surface_area26.3refractivity31.24polarizability13.34rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1555Specdb::MsIr4180Specdb::MsIr4181Specdb::CMs10259Specdb::CMs27754Specdb::CMs28685Specdb::CMs29330Specdb::CMs100616Specdb::CMs100617Specdb::CMs100618Specdb::CMs132873Specdb::CMs140607Specdb::NmrOneD3936Specdb::NmrOneD4216Specdb::NmrOneD110978Specdb::NmrOneD110979Specdb::NmrOneD110980Specdb::NmrOneD110981Specdb::NmrOneD110982Specdb::NmrOneD110983Specdb::NmrOneD110984Specdb::NmrOneD110985Specdb::NmrOneD110986Specdb::NmrOneD110987Specdb::NmrOneD110988Specdb::NmrOneD110989Specdb::NmrOneD110990Specdb::NmrOneD110991Specdb::NmrOneD110992Specdb::NmrOneD110993Specdb::NmrOneD110994Specdb::NmrOneD110995Specdb::NmrOneD110996Specdb::NmrOneD110997Specdb::MsMs69672Specdb::MsMs69673Specdb::MsMs69674Specdb::MsMs127998Specdb::MsMs127999Specdb::MsMs128000Specdb::MsMs3057230Specdb::MsMs3057231Specdb::MsMs3057232Specdb::MsMs3113537Specdb::MsMs3113538Specdb::MsMs3113539HMDB31207#<Reference:0x0000555676033c58>Alcoholic beveragesUnknowngenericArabica coffeeType 1specificCoffea arabica13443Asian pearType 1specificPyrus pyrifolia3767Black teaType 1BlackberryType 1specificRubusCoffee and coffee productsUnknowngenericEvergreen blackberryType 1specificRubus laciniatusFruitsUnknowngenericGreen teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericPotatoType 1specificSolanum tuberosum4113Red teaType 1Robusta coffeeType 1specificCoffea canephora49390TeaType 1specificCamellia sinensis4442applefruitygreennuttypineapplesweet