1.0 2010-04-08 22:06:16 UTC 2025-11-18 22:56:35 UTC FDB004514 2-Hexanol 2-hexanol, also known as hexan-2-ol, is a member of the class of 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). Thus, 2-hexanol is considered to be a fatty alcohol lipid molecule. 2-hexanol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 2-hexanol is a chemical and winey tasting compound and can be found in a number of food items such as safflower, green bell pepper, pepper (c. frutescens), and red bell pepper, which makes 2-hexanol a potential biomarker for the consumption of these food products. 2-hexanol can be found primarily in saliva. 2-hexanol exists in all eukaryotes, ranging from yeast to humans. 2-Hexanol (or hexan-2-ol) is a six carbon alcohol in which the OH group is located on the second carbon atom. Its chemical formula is C6H14O or C6H13OH. It is an isomer of the other hexanols. 2-Hexanol has a chiral center and can be resolved into two different enantiomers . 2-Hexanol 2-Hexyl alcohol N-butylmethylcarbinol n-Hexan-2-ol C6H14O 102.1748 102.10446507 hexan-2-ol 2-hexanol 626-93-7 CCCCC(C)O InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3 QNVRIHYSUZMSGM-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 Fatty alcohols logp 1.75 ALOGPS logs -0.77 ALOGPS solubility 1.72e+01 g/l ALOGPS logp 1.67 ChemAxon pka_strongest_acidic 17.68 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac hexan-2-ol ChemAxon average_mass 102.1748 ChemAxon mono_mass 102.10446507 ChemAxon smiles CCCCC(C)O ChemAxon formula C6H14O ChemAxon inchi InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3 ChemAxon inchikey QNVRIHYSUZMSGM-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 31.15 ChemAxon polarizability 13.04 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1609 Specdb::MsIr 10334 Specdb::MsIr 10335 Specdb::MsIr 10336 Specdb::CMs 2425 Specdb::CMs 26829 Specdb::CMs 27200 Specdb::CMs 27972 Specdb::CMs 28176 Specdb::CMs 28469 Specdb::CMs 29025 Specdb::CMs 48763 Specdb::CMs 102484 Specdb::CMs 102485 Specdb::CMs 102486 Specdb::CMs 102487 Specdb::CMs 102488 Specdb::CMs 102489 Specdb::CMs 132071 Specdb::CMs 139805 Specdb::NmrOneD 3937 Specdb::NmrOneD 4217 Specdb::NmrOneD 65232 Specdb::NmrOneD 65233 Specdb::NmrOneD 65234 Specdb::NmrOneD 65235 Specdb::NmrOneD 65236 Specdb::NmrOneD 65237 Specdb::NmrOneD 65238 Specdb::NmrOneD 65239 Specdb::NmrOneD 65240 Specdb::NmrOneD 65241 Specdb::NmrOneD 65242 Specdb::NmrOneD 65243 Specdb::NmrOneD 65244 Specdb::NmrOneD 65245 Specdb::NmrOneD 65246 Specdb::NmrOneD 65247 Specdb::NmrOneD 65248 Specdb::NmrOneD 65249 Specdb::NmrOneD 65250 Specdb::NmrOneD 65251 Specdb::MsMs 65721 Specdb::MsMs 65722 Specdb::MsMs 65723 Specdb::MsMs 123156 Specdb::MsMs 123157 Specdb::MsMs 123158 Specdb::MsMs 2708651 Specdb::MsMs 2708652 Specdb::MsMs 2708653 Specdb::MsMs 2999764 Specdb::MsMs 2999765 Specdb::MsMs 2999766 HMDB0061886 Black tea Type 1 Corn Type 1 specific Zea mays 4577 Green bell pepper Type 1 specific Capsicum annuum 4072 Green tea Type 1 Herbal tea Type 1 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Red bell pepper Type 1 specific Capsicum annuum 4072 Red tea Type 1 Safflower Type 1 specific Carthamus tinctorius 4222 0.012 0.012 0.012 mg/100 g Tea Type 1 specific Camellia sinensis 4442 Yellow bell pepper Type 1 specific Capsicum annuum 4072 chemical winey