1.02010-04-08 22:09:55 UTC2020-09-17 15:31:03 UTCFDB011952HexadecaneHexadecane, also known as cetan or CH3-[CH2]14-CH3, is a straight-chain alkane with 16 carbon atoms. It belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2, and consist entirely of hydrogen atoms and saturated carbon atoms. Hexadecane is a hydrocarbon lipid molecule that is very hydrophobic, practically insoluble in water, and relatively neutral. Hexadecane is an alkane taste. It is found in highest concentrations in black walnuts. Hexadecane has also been detected in allspices, cucumbers, tea, orange bell peppers, and herbs and spices. This could make hexadecane a potential biomarker for the consumption of these foods. Hexadecane has been associated with certain gastrointestinal diseases, such as ulcerative colitis, resulting from Clostridium difficile and Campylobacter jejuni infections (PMID: 17314143).1,2-EpoxyhexadecaneCetanCetaneCH3-[CH2]14-CH3CNSHexadekanN-cetaneN-hexadecaneZetanC16H34226.4412226.266051088hexadecanecetane544-76-3CCCCCCCCCCCCCCCCInChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3DCAYPVUWAIABOU-UHFFFAOYSA-N belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.AlkanesOrganic compoundsHydrocarbonsSaturated hydrocarbonsAlkanesAliphatic acyclic compoundsAcyclic alkaneAliphatic acyclic compoundAlkaneHydrocarbonsan alkanelong-chain alkaneLiquidlogp8.63logs-6.99solubility2.34e-05 g/lmelting_pointMp 18.17°logp7.58iupachexadecaneaverage_mass226.4412mono_mass226.266051088smilesCCCCCCCCCCCCCCCCformulaC16H34inchiInChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3inchikeyDCAYPVUWAIABOU-UHFFFAOYSA-Npolar_surface_area0refractivity75.42polarizability33.34rotatable_bond_count13acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::EiMs1565Specdb::NmrOneD3903Specdb::NmrOneD4177Specdb::MsMs90675Specdb::MsMs90676Specdb::MsMs90677Specdb::MsMs153891Specdb::MsMs153892Specdb::MsMs153893Specdb::MsMs2724464Specdb::MsMs2724465Specdb::MsMs2724466Specdb::MsMs2957067Specdb::MsMs2957068Specdb::MsMs2957069Specdb::CMs1281Specdb::CMs10376Specdb::CMs27100Specdb::CMs28495Specdb::CMs28859Specdb::CMs29963Specdb::CMs31631Specdb::CMs31876Specdb::CMs173353HMDB3379245296R16#<Reference:0x0000555675cefa88>#<Reference:0x0000555675cef8d0>#<Reference:0x0000555675cef718>#<Reference:0x0000555675cef560>AllspiceType 1specificPimenta dioica375272Asian pearType 1specificPyrus pyrifolia3767Black teaType 1Black walnutType 1specificJuglans nigra167197300.07300.07300.0mg/100 gCucumberType 1specificCucumis sativus3659DillType 1specificAnethum graveolens40922FenugreekType 1specificTrigonella foenum-graecum78534Green bell pepperType 1specificCapsicum annuum4072Green teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericLemon balmType 1specificMelissa officinalis39338Orange bell pepperType 1specificCapsicum annuum4072PapayaType 1specificCarica papaya3649PepperType 1specificCapsicum annuum4072Pepper (C. frutescens)Type 1specificCapsicum annuum var. annuum40321Red bell pepperType 1specificCapsicum annuum4072Red teaType 1SunflowerType 1specificHelianthus annuus4232Sweet bayType 1specificLaurus nobilis85223TeaType 1specificCamellia sinensis4442WatermelonType 1specificCitrullus lanatus3654Yellow bell pepperType 1specificCapsicum annuum4072alkane