1.0 2010-04-08 22:09:55 UTC 2020-09-17 15:31:03 UTC FDB011952 Hexadecane Hexadecane, 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-Epoxyhexadecane Cetan Cetane CH3-[CH2]14-CH3 CNS Hexadekan N-cetane N-hexadecane Zetan C16H34 226.4412 226.266051088 hexadecane cetane 544-76-3 CCCCCCCCCCCCCCCC InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 DCAYPVUWAIABOU-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. Alkanes Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Aliphatic acyclic compounds Acyclic alkane Aliphatic acyclic compound Alkane Hydrocarbons an alkane long-chain alkane Liquid logp 8.63 ALOGPS logs -6.99 ALOGPS solubility 2.34e-05 g/l ALOGPS melting_point Mp 18.17° logp 7.58 ChemAxon iupac hexadecane ChemAxon average_mass 226.4412 ChemAxon mono_mass 226.266051088 ChemAxon smiles CCCCCCCCCCCCCCCC ChemAxon formula C16H34 ChemAxon inchi InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 ChemAxon inchikey DCAYPVUWAIABOU-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 75.42 ChemAxon polarizability 33.34 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1565 Specdb::NmrOneD 3903 Specdb::NmrOneD 4177 Specdb::CMs 1281 Specdb::CMs 10376 Specdb::CMs 27100 Specdb::CMs 28495 Specdb::CMs 28859 Specdb::CMs 29963 Specdb::CMs 31631 Specdb::CMs 31876 Specdb::CMs 173353 Specdb::MsMs 90675 Specdb::MsMs 90676 Specdb::MsMs 90677 Specdb::MsMs 153891 Specdb::MsMs 153892 Specdb::MsMs 153893 Specdb::MsMs 2724464 Specdb::MsMs 2724465 Specdb::MsMs 2724466 Specdb::MsMs 2957067 Specdb::MsMs 2957068 Specdb::MsMs 2957069 HMDB33792 45296 R16 #<Reference:0x000055ce318e6598> #<Reference:0x000055ce318e63e0> #<Reference:0x000055ce318e6228> #<Reference:0x000055ce318e6070> Allspice Type 1 specific Pimenta dioica 375272 Asian pear Type 1 specific Pyrus pyrifolia 3767 Black tea Type 1 Black walnut Type 1 specific Juglans nigra 16719 7300.0 7300.0 7300.0 mg/100 g Cucumber Type 1 specific Cucumis sativus 3659 Dill Type 1 specific Anethum graveolens 40922 Fenugreek Type 1 specific Trigonella foenum-graecum 78534 Green bell pepper Type 1 specific Capsicum annuum 4072 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Lemon balm Type 1 specific Melissa officinalis 39338 Orange bell pepper Type 1 specific Capsicum annuum 4072 Papaya Type 1 specific Carica papaya 3649 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 Sunflower Type 1 specific Helianthus annuus 4232 Sweet bay Type 1 specific Laurus nobilis 85223 Tea Type 1 specific Camellia sinensis 4442 Watermelon Type 1 specific Citrullus lanatus 3654 Yellow bell pepper Type 1 specific Capsicum annuum 4072 alkane