1.0 2016-09-30 22:48:34 UTC 2020-05-11 20:55:49 UTC BMDB0001881 BMDB01881 Propylene glycol 1,2-Dihydroxypropane 1,2-Propanediol 1,2-Propylenglykol 2-Hydroxypropanol alpha-Propyleneglycol CH3CH(OH)CH2OH HOCH2CH(OH)CH3 HOCH2CH(OH)Me Isopropylene glycol MeCH(OH)CH2OH Methyl glycol Methylethyl glycol Methylethylene glycol Monopropylene glycol PPD a-Propyleneglycol Α-propyleneglycol (RS)-1,2-Propanediol 1,2-(RS)-Propanediol 1,2-Propylene glycol 2,3-Propanediol a-Propylene glycol Aliphatic alcohol alpha-Propylene glycol Chilisa fe DL-1,2-Propanediol DL-Propylene glycol Dowfrost Glycol Ilexan p Inhibited 1,2-propylene glycol Prolugen Propane-1,2-diol Propanediol Propylene glycol usp Propylenglycol Sentry propylene glycol Sirlene Solar winter ban Solargard p Trimethyl glycol Ucar 35 Propan-1,2-diol Monohydrate, propylene glycol Propylene glycol, (R)-isomer Propylene glycol, (S)-isomer 1,2 Propanediol Glycol, propylene Propylene glycol, (+-)-isomer Propylene glycol monohydrate Propylene glycol sodium salt C3H8O2 76.0944 76.0524295 propane-1,2-diol 1,2-propanediol 57-55-6 CC(O)CO InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 DNIAPMSPPWPWGF-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols 1,2-diols Hydrocarbon derivatives Primary alcohols Secondary alcohols 1,2-diol Aliphatic acyclic compound Hydrocarbon derivative Primary alcohol Secondary alcohol Aliphatic acyclic compounds DL-12-Propanediol glycol propane-1,2-diols Liquid melting_point -60 °C water_solubility 1000 mg/mL at 20 °C logp -0.92 HANSCH,C ET AL. (1995) logp -1.10 ALOGPS logs 1.10 ALOGPS logp -0.79 ChemAxon pka_strongest_acidic 14.47 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac propane-1,2-diol ChemAxon average_mass 76.0944 ChemAxon mono_mass 76.0524295 ChemAxon smiles CC(O)CO ChemAxon formula C3H8O2 ChemAxon inchi InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 ChemAxon inchikey DNIAPMSPPWPWGF-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 18.97 ChemAxon polarizability 8.01 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 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 Pyruvate Metabolism SMP0087231 Specdb::EiMs 42 Specdb::NmrTwoD 1717 Specdb::NmrOneD 1777 Specdb::NmrOneD 2489 Specdb::NmrOneD 3184 Specdb::NmrOneD 5033 Specdb::NmrOneD 5034 Specdb::MsMs 1780 Specdb::MsMs 1781 Specdb::MsMs 1782 Specdb::MsMs 5546 Specdb::MsMs 5547 Specdb::MsMs 178701 Specdb::MsMs 178702 Specdb::MsMs 178703 Specdb::MsMs 181020 Specdb::MsMs 181021 Specdb::MsMs 181022 Specdb::CMs 787 Specdb::CMs 892 Specdb::CMs 2705 Specdb::CMs 27159 Specdb::CMs 29431 Specdb::CMs 30673 Specdb::CMs 31362 Specdb::CMs 38167 Epidermis 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 Intestine 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 Metabolomics analysis was performed using GC-MS/LC-MS in multiparous Holstein dairy cows Shahzad K, Lopreiato V, Liang Y, Trevisi E, Osorio JS, Xu C, Loor JJ: Hepatic metabolomics and transcriptomics to study susceptibility to ketosis in response to prepartal nutritional management. J Anim Sci Biotechnol. 2019 Dec 18;10:96. doi: 10.1186/s40104-019-0404-z. eCollection 2019. 31867104 Neuron 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 Platelet 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 Semen Analysis was performed using GC-MS in Holstein bulls (n = 16). Compound was identified by probable match parameters of the NIST Mass Spectral Search Program Velho ALC, Menezes E, Dinh T, Kaya A, Topper E, Moura AA, Memili E: Metabolomic markers of fertility in bull seminal plasma. PLoS One. 2018 Apr 10;13(4):e0195279. doi: 10.1371/journal.pone.0195279. eCollection 2018. 29634739 Skeletal Muscle 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 Testis 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 DB01839 FDB008274 C00583 13835224 1030 16997 C00007410 Propylene_glycol 3220 Tuck, Michael William Marshall. Preparation of propylene glycol by hydrogenation of glycerol. PCT Int. Appl. (2008), 20pp.