1.0 2010-04-08 22:09:29 UTC 2025-11-18 23:24:55 UTC FDB011151 xi-2-Pentanol Present 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-butanol C5H12O 88.1482 88.088815006 pentan-2-ol 2-pentanol 6032-29-7 CCCC(C)O InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 JYVLIDXNZAXMDK-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 alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol secondary alcohol Liquid logp 1.18 ALOGPS logs -0.17 ALOGPS solubility 5.97e+01 g/l ALOGPS logp 1.22 ChemAxon pka_strongest_acidic 17.8 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac pentan-2-ol ChemAxon average_mass 88.1482 ChemAxon mono_mass 88.088815006 ChemAxon smiles CCCC(C)O ChemAxon formula C5H12O ChemAxon inchi InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 ChemAxon inchikey JYVLIDXNZAXMDK-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 26.55 ChemAxon polarizability 11.02 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1833 Specdb::CMs 15751 Specdb::CMs 26825 Specdb::CMs 27145 Specdb::CMs 27967 Specdb::CMs 28397 Specdb::CMs 42544 Specdb::CMs 100879 Specdb::CMs 100880 Specdb::CMs 100881 Specdb::CMs 100882 Specdb::CMs 145849 Specdb::MsIr 4703 Specdb::MsIr 4704 Specdb::MsIr 4705 Specdb::NmrOneD 3925 Specdb::NmrOneD 4204 Specdb::NmrOneD 164869 Specdb::NmrOneD 164870 Specdb::NmrOneD 164871 Specdb::NmrOneD 164872 Specdb::NmrOneD 164873 Specdb::NmrOneD 164874 Specdb::NmrOneD 164875 Specdb::NmrOneD 164876 Specdb::NmrOneD 164877 Specdb::NmrOneD 164878 Specdb::NmrOneD 164879 Specdb::NmrOneD 164880 Specdb::NmrOneD 164881 Specdb::NmrOneD 164882 Specdb::NmrOneD 164883 Specdb::NmrOneD 164884 Specdb::NmrOneD 164885 Specdb::NmrOneD 164886 Specdb::NmrOneD 164887 Specdb::NmrOneD 164888 Specdb::MsMs 83733 Specdb::MsMs 83734 Specdb::MsMs 83735 Specdb::MsMs 145407 Specdb::MsMs 145408 Specdb::MsMs 145409 Specdb::MsMs 2333746 Specdb::MsMs 2333747 Specdb::MsMs 2333748 Specdb::MsMs 2632307 Specdb::MsMs 2632308 Specdb::MsMs 2632309 HMDB31599 #<Reference:0x000055ce32476ac0> #<Reference:0x000055ce32476908> #<Reference:0x000055ce32476750> #<Reference:0x000055ce32476598> #<Reference:0x000055ce324763e0> #<Reference:0x000055ce32476228> #<Reference:0x000055ce32476070> #<Reference:0x000055ce32475eb8> #<Reference:0x000055ce32475cb0> #<Reference:0x000055ce32475af8> #<Reference:0x000055ce32475940> #<Reference:0x000055ce32475788> #<Reference:0x000055ce324755d0> #<Reference:0x000055ce32475418> #<Reference:0x000055ce32475260> #<Reference:0x000055ce324750a8> Alcoholic beverages Unknown generic Fruits Unknown generic Milk and milk products Unknown generic green