1.0 2016-09-30 22:37:05 UTC 2020-06-04 19:55:31 UTC BMDB0000820 BMDB00820 Propyl alcohol 1-Propanol, also known as N-propyl alcohol or ethylcarbinol, belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, 1-propanol is considered to be a fatty alcohol lipid molecule. 1-Propanol exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. 1-Propanol exists in all living species, ranging from bacteria to humans. In cattle, 1-propanol is involved in the metabolic pathway called the sulfate/sulfite metabolism pathway. 1-Propanol has been found to be associated with several diseases known as ulcerative colitis, crohn's disease, irritable bowel syndrome, and nonalcoholic fatty liver disease; also 1-propanol has been linked to the inborn metabolic disorders including celiac disease. 1-Hydroxypropane 1-Propanol Ethyl carbinol Ethylcarbinol N-Propan-1-ol N-Propanol N-Propyl alcohol N-Propylalkohol Optal Osmosol extra Propane-1-ol Propanol Propanol-1 UN 1274 Propan-1-ol 1-Propyl alcohol Hydroxypropane Propanole Propanolen Propylan-propyl alcohol Propylic alcohol 1 Propanol Alcohol, propyl N Propanol Propyl alcohol C3H8O 60.095 60.057514878 propan-1-ol propanol 71-23-8 CCCO InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 BDERNNFJNOPAEC-UHFFFAOYSA-N belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Primary alcohols Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Primary alcohol Aliphatic acyclic compounds Fatty alcohols a primary alcohol a short-chain alcohol propan-1-ols Liquid melting_point -126.1 °C water_solubility 1000.0 mg/mL logp 0.25 HANSCH,C ET AL. (1995) logp 0.21 ALOGPS logs 0.81 ALOGPS logp 0.36 ChemAxon pka_strongest_acidic 16.85 ChemAxon pka_strongest_basic -2 ChemAxon iupac propan-1-ol ChemAxon average_mass 60.095 ChemAxon mono_mass 60.057514878 ChemAxon smiles CCCO ChemAxon formula C3H8O ChemAxon inchi InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 ChemAxon inchikey BDERNNFJNOPAEC-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 17.53 ChemAxon polarizability 7.23 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Sulfate/Sulfite Metabolism SMP0087216 Specdb::MsIr 884 Specdb::MsIr 885 Specdb::MsIr 886 Specdb::NmrTwoD 1498 Specdb::CMs 2802 Specdb::CMs 26817 Specdb::CMs 28642 Specdb::CMs 28850 Specdb::CMs 37785 Specdb::CMs 99609 Specdb::CMs 99610 Specdb::CMs 99611 Specdb::CMs 131795 Specdb::CMs 139529 Specdb::CMs 1077644 Specdb::NmrOneD 1555 Specdb::NmrOneD 3965 Specdb::NmrOneD 4249 Specdb::NmrOneD 5027 Specdb::NmrOneD 5028 Specdb::EiMs 1888 Specdb::MsMs 1167 Specdb::MsMs 1168 Specdb::MsMs 1169 Specdb::MsMs 4698 Specdb::MsMs 4699 Specdb::MsMs 4700 Specdb::MsMs 21239 Specdb::MsMs 21240 Specdb::MsMs 21241 Specdb::MsMs 22790 Specdb::MsMs 22791 Specdb::MsMs 22792 Specdb::MsMs 2726588 Specdb::MsMs 2726589 Specdb::MsMs 2726590 Specdb::MsMs 2979311 Specdb::MsMs 2979312 Specdb::MsMs 2979313 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 Milk 9.75 +/- 6.48 mg/100g dry matter content Italian raw milk Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009 Milk 13.1 +/- 5.41 mg/100g dry matter content Slovenian raw milk Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009 DB03175 FDB031044 1004 C05979 1031 28831 PROPANOL Propan-1-ol 5783 Ito, Kenji; Katao, Masaaki. Process for manufacturing propylene oxide and propyl alcohol. Jpn. Kokai Tokkyo Koho (2003), 4 pp. Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009