1.02010-04-08 22:07:54 UTC2020-09-17 15:35:51 UTCFDB0080531-Heptanol1-Heptanol, also known as heptan-1-ol or heptyl alcohol, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. 1-Heptanol is a hydrophobic molecule, poorly miscible in water, but fairly miscible in organic solvents. Thus, 1-heptanol is considered to be a fatty alcohol lipid molecule. 1-Heptanol is a primary alcohol with a seven-carbon chain and the structural formula of CH3(CH2)6OH. It is a clear colorless liquid that is very slightly soluble in water, but miscible with ether and ethanol. 1-Heptanol is found in alcoholic beverages, in a few essential oils (Rosa rugosa), in plum and plum brandy, Bourbon vanilla, banana, morello cherry, orange, guava fruit, pineapple. 1-Heptanol has a pleasant smell and is used in cosmetics for its fragrance.FEMA 2548Heptan-1-olHeptyl alcoholHeptyl alcohol, 8CIC7H16O116.2013116.120115134heptan-1-olheptanol111-70-6CCCCCCCOInChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3BBMCTIGTTCKYKF-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.Fatty alcoholsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty alcoholsAliphatic acyclic compoundsHydrocarbon derivativesPrimary alcoholsAlcoholAliphatic acyclic compoundFatty alcoholHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPrimary alcoholFatty alcoholsa small moleculelogp2.53logs-1.70solubility2.32e+00 g/lmelting_pointFp -34.1°logp2.14pka_strongest_acidic16.84pka_strongest_basic-2iupacheptan-1-olaverage_mass116.2013mono_mass116.120115134smilesCCCCCCCOformulaC7H16OinchiInChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3inchikeyBBMCTIGTTCKYKF-UHFFFAOYSA-Npolar_surface_area20.23refractivity35.94polarizability15.33rotatable_bond_count5acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::EiMs1967Specdb::MsIr4491Specdb::MsIr4492Specdb::MsIr4493Specdb::CMs2798Specdb::CMs26830Specdb::CMs26992Specdb::CMs27858Specdb::CMs27900Specdb::CMs27974Specdb::CMs28178Specdb::CMs28471Specdb::CMs28864Specdb::CMs42500Specdb::CMs100800Specdb::CMs100801Specdb::CMs100802Specdb::CMs100803Specdb::CMs100804Specdb::CMs100805Specdb::CMs100806Specdb::CMs100807Specdb::CMs131817Specdb::CMs139551Specdb::NmrOneD4061Specdb::NmrOneD18902Specdb::NmrOneD18903Specdb::NmrOneD18904Specdb::NmrOneD18905Specdb::NmrOneD18906Specdb::NmrOneD18907Specdb::NmrOneD18908Specdb::NmrOneD18909Specdb::NmrOneD18910Specdb::NmrOneD18911Specdb::NmrOneD18912Specdb::NmrOneD18913Specdb::NmrOneD18914Specdb::NmrOneD18915Specdb::NmrOneD18916Specdb::NmrOneD18917Specdb::NmrOneD18918Specdb::NmrOneD18919Specdb::NmrOneD18920Specdb::NmrOneD18921Specdb::MsMs45420Specdb::MsMs45421Specdb::MsMs45422Specdb::MsMs129651Specdb::MsMs129652Specdb::MsMs129653Specdb::MsMs1473853Specdb::MsMs1473854Specdb::MsMs1473855Specdb::MsMs1473856Specdb::MsMs1473857Specdb::MsMs1473858Specdb::MsMs1473859Specdb::MsMs1473860Specdb::MsMs1473861Specdb::MsMs1473862Specdb::MsMs1473863Specdb::MsMs1473864Specdb::MsMs1473865Specdb::MsMs1473866Specdb::MsMs1473867Specdb::MsMs2764560Specdb::MsMs2764561Specdb::MsMs2764562Specdb::MsMs2941684HMDB31479HE4#<Reference:0x00005556760bc9b8>Alcoholic beveragesUnknowngenericAnatidaeType 1specificAnatidae8830AppleType 1specificMalus pumila283210Asian pearType 1specificPyrus pyrifolia3767AsparagusType 1specificAsparagus officinalis4686BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901Black walnutType 1specificJuglans nigra16719700.0700.0700.0mg/100 gBlackberryType 1specificRubusBreakfast cerealType 2specificBuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913Celery stalksType 1specificApium graveolens var. dulce117781Cereals and cereal productsUnknowngenericChickenType 1specificGallus gallus9031CitrusUnknowngenericColumbidae (Dove, Pigeon)Type 1specificColumbidae8930Common wheatType 1specificTriticum aestivum4565CornType 1specificZea mays45772500.02500.02500.0mg/100 gDeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Evergreen blackberryType 1specificRubus laciniatusFruitsUnknowngenericGreylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata855710.150.150.15mg/100 gMilk (Cow)Type 2specificMountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871Mung beanType 1specificVigna radiata157791NutsUnknowngenericOstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054PotatoType 1specificSolanum tuberosum4113Prickly pearType 1specificOpuntia106975QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rabbiteye blueberryType 1specificVaccinium virgatumRed wineType 248.1981596.30.0963mg/100 gRock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940Soy beanType 1specificGlycine max3847SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823Wild celeryType 1specificApium graveolens4045chemicalcoconutgreenherballeafymustypeonystrawberrysweetvioletwoody