1.02010-04-08 22:05:42 UTC2020-09-17 15:42:14 UTCFDB003228PentanalPentanal, also known as amyl aldehyde or N-valeraldehyde, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R) C(=O) H, where R is any organic group. Pentanal is considered to be a fatty aldehyde lipid molecule. These are compounds containing more than one aldehyde group. Pentanal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. It is found in a number of plant-based foods including olive oil and several essential oils. It is also present in Bantu beer, plum brandy, cardamom, coriander leaf, rice, Bourbon vanilla, clary sage, cooked shrimps, scallops, apple, banana, sweet cherry, blackcurrant, black walnuts, carrots and in a lower concentration in corns, tortilla, and safflowers. Pentanal has also been detected, but not quantified in, evergreen blackberries, soybeans, and green beans. This could make pentanal a potential biomarker for the consumption of these foods.. Pentanal is an almond, berry, and bready tasting compound and is widely used in flavorings. Its aroma is described as fermented, bready, fruity, nutty, berry. Industrially, pentanal is used in resin production and as a rubber polymerization accelerator. Pentanal is produced in human tissues and cells through lipid peroxidation. Pentanal potentially inhibits tubulin polymerization. In particular, it has been shown that purified tubulin incubated with pentanal exhibits a tubulin-aldehyde interaction affecting its polymerization reaction and the colchicine-binding activity (PMID: 3608101).1-pentanalAmyl aldehydeAmylaldehydeButyl formalFEMA 3098n-C4H9CHON-pentanalN-valeraldehyden-Valeraldehyde, 8CIN-valeric aldehydepentan-1-alPentanal (valeraldehyde)Pentyl aldehydePNOValeralValeraldehydeValeraldehyde [UN2058] [Flammable liquid]Valerianic aldehydeValeric acid aldehydeValeric aldehydeValeryl aldehydeValerylaldehydeC5H10O86.132386.073164942pentanalpentanal110-62-3CCCCC=OInChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3HGBOYTHUEUWSSQ-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.Alpha-hydrogen aldehydesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsHydrocarbon derivativesOrganic oxidesShort-chain aldehydesAliphatic acyclic compoundAlpha-hydrogen aldehydeHydrocarbon derivativeOrganic oxideShort-chain aldehydeFatty aldehydesan <i>n</i>-alkanalfatty aldehydeLiquidlogp1.41logs-0.76solubility1.48e+01 g/lmelting_pointFp -92°logp1.21pka_strongest_acidic17.82pka_strongest_basic-6.9iupacpentanalaverage_mass86.1323mono_mass86.073164942smilesCCCCC=OformulaC5H10OinchiInChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3inchikeyHGBOYTHUEUWSSQ-UHFFFAOYSA-Npolar_surface_area17.07refractivity25.55polarizability10.32rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1860Specdb::MsIr4178Specdb::MsIr4179Specdb::CMs11884Specdb::CMs27019Specdb::CMs29022Specdb::CMs29215Specdb::CMs29515Specdb::CMs100612Specdb::CMs100613Specdb::CMs100614Specdb::CMs100615Specdb::CMs154802Specdb::MsMs91389Specdb::MsMs91390Specdb::MsMs91391Specdb::MsMs154767Specdb::MsMs154768Specdb::MsMs154769Specdb::MsMs2373126Specdb::MsMs2373127Specdb::MsMs2373128Specdb::MsMs2565638Specdb::MsMs2565639Specdb::MsMs2565640Specdb::NmrOneD3793Specdb::NmrOneD4055Specdb::NmrOneD110958Specdb::NmrOneD110959Specdb::NmrOneD110960Specdb::NmrOneD110961Specdb::NmrOneD110962Specdb::NmrOneD110963Specdb::NmrOneD110964Specdb::NmrOneD110965Specdb::NmrOneD110966Specdb::NmrOneD110967Specdb::NmrOneD110968Specdb::NmrOneD110969Specdb::NmrOneD110970Specdb::NmrOneD110971Specdb::NmrOneD110972Specdb::NmrOneD110973Specdb::NmrOneD110974Specdb::NmrOneD110975Specdb::NmrOneD110976Specdb::NmrOneD110977HMDB31206PTL#<Reference:0x0000555674ea8560>Alcoholic beveragesUnknowngenericAllspiceType 1specificPimenta dioica375272AppleType 1specificMalus pumila283210AsparagusType 1specificAsparagus officinalis4686Black walnutType 1specificJuglans nigra16719600.0600.0600.0mg/100 gBlackberryType 1specificRubusBlackcurrantType 1specificRibes nigrum78511Breakfast cerealType 2specificCarrotType 1specificDaucus carota ssp. sativus792000.00.00.0mg/100 gCauliflowerType 1specificBrassica oleracea var. botrytis3715Celery stalksType 1specificApium graveolens var. dulce117781Cereals and cereal productsUnknowngenericCherry tomatoType 1specificSolanum lycopersicum var. cerasiforme195583CornType 1specificZea mays45770.00.00.0mg/100 gCrustaceansUnknowngeneric6657Evergreen blackberryType 1specificRubus laciniatusFats and oilsUnknowngenericFruitsUnknowngenericGarden tomatoType 1specificSolanum lycopersicum4081Garden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755Green beanType 1specificPhaseolus vulgaris3885GuavaType 1specificPsidium guajava120290Herbs and SpicesUnknowngenericMilk (Cow)Type 2specific0.487211.330.00311mg/100 gMollusksUnknowngeneric6447PomesUnknowngenericPotatoType 1specificSolanum tuberosum4113RiceType 1specificOryza sativa4530RosemaryType 1specificRosmarinus officinalis39367SafflowerType 1specificCarthamus tinctorius42220.0040.0040.004mg/100 gSesameType 1specificSesamum orientale4182Soy beanType 1specificGlycine max3847SpearmintType 1specificMentha spicata29719Sweet bayType 1specificLaurus nobilis85223Sweet cherryType 1specificPrunus avium42229TortillaType 2specific0.00.00.0mg/100 gWatermelonType 1specificCitrullus lanatus3654almondberrybreadyfermentedfruitymaltnuttypungentflavor936A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.