1.02010-04-08 22:09:29 UTC2019-11-26 03:04:37 UTCFDB011151xi-2-PentanolPresent in many foodstuffs, e.g. fruits, alcoholic beverages and cheeses. xi-2-Pentanol is found in alcoholic beverages, milk and milk products, and fruits.Methyl-butanolC5H12O88.148288.088815006pentan-2-ol2-pentanol6032-29-7CCCC(C)OInChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3JYVLIDXNZAXMDK-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).Secondary alcoholsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyolsAliphatic acyclic compoundsHydrocarbon derivativesAliphatic acyclic compoundHydrocarbon derivativeSecondary alcoholsecondary alcoholLiquidlogp1.18logs-0.17solubility5.97e+01 g/llogp1.22pka_strongest_acidic17.8pka_strongest_basic-1.6iupacpentan-2-olaverage_mass88.1482mono_mass88.088815006smilesCCCC(C)OformulaC5H12OinchiInChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3inchikeyJYVLIDXNZAXMDK-UHFFFAOYSA-Npolar_surface_area20.23refractivity26.55polarizability11.02rotatable_bond_count2acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::EiMs1833Specdb::MsIr4703Specdb::MsIr4704Specdb::MsIr4705Specdb::CMs15751Specdb::CMs26825Specdb::CMs27145Specdb::CMs27967Specdb::CMs28397Specdb::CMs42544Specdb::CMs100879Specdb::CMs100880Specdb::CMs100881Specdb::CMs100882Specdb::CMs145849Specdb::NmrOneD3925Specdb::NmrOneD4204Specdb::NmrOneD164869Specdb::NmrOneD164870Specdb::NmrOneD164871Specdb::NmrOneD164872Specdb::NmrOneD164873Specdb::NmrOneD164874Specdb::NmrOneD164875Specdb::NmrOneD164876Specdb::NmrOneD164877Specdb::NmrOneD164878Specdb::NmrOneD164879Specdb::NmrOneD164880Specdb::NmrOneD164881Specdb::NmrOneD164882Specdb::NmrOneD164883Specdb::NmrOneD164884Specdb::NmrOneD164885Specdb::NmrOneD164886Specdb::NmrOneD164887Specdb::NmrOneD164888Specdb::MsMs83733Specdb::MsMs83734Specdb::MsMs83735Specdb::MsMs145407Specdb::MsMs145408Specdb::MsMs145409Specdb::MsMs2333746Specdb::MsMs2333747Specdb::MsMs2333748Specdb::MsMs2632307Specdb::MsMs2632308Specdb::MsMs2632309HMDB31599#<Reference:0x0000555674a82a58>#<Reference:0x0000555674a828a0>#<Reference:0x0000555674a826e8>#<Reference:0x0000555674a82530>#<Reference:0x0000555674a82260>#<Reference:0x0000555674a82080>#<Reference:0x0000555674a81ec8>#<Reference:0x0000555674a81d10>#<Reference:0x0000555674a81b30>#<Reference:0x0000555674a81978>#<Reference:0x0000555674a817c0>#<Reference:0x0000555674a81590>#<Reference:0x0000555674a81388>#<Reference:0x0000555674a811d0>#<Reference:0x0000555674a80f28>#<Reference:0x0000555674a80d70>Alcoholic beveragesUnknowngenericFruitsUnknowngenericMilk and milk productsUnknowngenericgreen