1.0 2016-09-30 23:04:33 UTC 2020-05-11 20:03:08 UTC BMDB0003424 BMDB03424 1-Hexadecanol 1-Cetanol 1-Hexadecyl alcohol 16-Hexadecanol Cetanol Cetyl alcohol Cetylalkohol Hexadecanol N-1-Hexadecanol N-Hexadecyl alcohol Palmityl alcohol 1-Hexadecyl alc 1-Hexanedecanol 1-Hydroxyhexadecane Adol Adol 52 Adol 52 NF Adol 52nf Adol 54 Alcohol C-16 Aldol 54 Alfol 16 Atalco C C16 Alcohol Cachalot C-50 Cachalot C-50 NF Cachalot C-51 Cachalot C-52 Ceraphyl ica Cetaffine Cetal Cetalol ca Cetostearyl alcohol Cetyl alcohol NF Cetylic alcohol Cetylol Crodacol C Crodacol C70 Crodacol C95NF Crodacol-cas Crodacol-cat Cyclal cetyl alcohol Dehydag wax 16 Dytol F-11 Elfacos C Epal 16nf Ethal Ethol Eutanol g16 Exxal 16 Fancol ca Fatty alcohol Hexadecan-1-ol Hexadecanol NF Hexadecyl alcohol Hyfatol Hyfatol 16 Isocetyl alcohol Isohexadecanol Isohexadecyl alcohol Lanette 16 Lanol C Lipocol C Lorol 24 Lorol C16 LorolL 24 Loxanol K Loxanol K extra Loxanwachs SK Loxiol VPG 1743 Michel xo-150-16 Myristyl alcohol N-Cetyl alcohol N-Hexadecan-1-ol N-Hexadecanol Normal primary hexadecyl alcohol Philcohol 1600 Product 308 Rita ca Siponol CC Siponol wax-a SSD SSD RP Cetyl alcohol, 14C-labeled Cetyl alcohol, aluminum salt 1-Hexadecanol C16H34O 242.4406 242.26096571 hexadecan-1-ol cetyl alcohol 36653-82-4 CCCCCCCCCCCCCCCCO InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3 BXWNKGSJHAJOGX-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Long-chain fatty alcohols Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds Fatty alcohols Fatty alcohols a small molecule fatty alcohol 16:0 long-chain primary fatty alcohol Solid melting_point 49.3 °C water_solubility 1.34e-05 mg/mL at 25 °C logp 7.17 ALOGPS logs -6.13 ALOGPS logp 6.14 ChemAxon pka_strongest_acidic 16.84 ChemAxon pka_strongest_basic -2 ChemAxon iupac hexadecan-1-ol ChemAxon average_mass 242.4406 ChemAxon mono_mass 242.26096571 ChemAxon smiles CCCCCCCCCCCCCCCCO ChemAxon formula C16H34O ChemAxon inchi InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3 ChemAxon inchikey BXWNKGSJHAJOGX-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 77.35 ChemAxon polarizability 34.38 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 599 Specdb::NmrTwoD 1904 Specdb::NmrOneD 1969 Specdb::NmrOneD 3055 Specdb::CMs 846 Specdb::CMs 1654 Specdb::CMs 8847 Specdb::CMs 28484 Specdb::CMs 28869 Specdb::CMs 28996 Specdb::CMs 30414 Specdb::CMs 31461 Specdb::CMs 31824 Specdb::CMs 38598 Specdb::CMs 163367 Specdb::MsMs 2304 Specdb::MsMs 2305 Specdb::MsMs 2306 Specdb::MsMs 5943 Specdb::MsMs 5944 Specdb::MsMs 5945 Specdb::MsMs 262209 Specdb::MsMs 262210 Specdb::MsMs 262211 Specdb::MsMs 282141 Specdb::MsMs 282142 Specdb::MsMs 282143 Specdb::MsMs 2339823 Specdb::MsMs 2339824 Specdb::MsMs 2339825 Specdb::MsMs 2626514 Specdb::MsMs 2626515 Specdb::MsMs 2626516 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 2581 FDB003051 DB09494 2682 C00823 16125 CPD-348 Cetyl_Alcohol 6927 Mihalovici, Ar.; Bors, G. Preparation of cetyl alcohol. Curierul Farmaceutic (1938), 8(No. 6), 1-9.