1.0 2016-10-03 18:41:16 UTC 2020-06-04 19:04:54 UTC BMDB0034168 BMDB34168 Toluene Toluene, also known as methylbenzene or toluol, belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group. Toluene is a drug which is used for the removal of ascarids (toxocara canis and toxascaris leonina) and hookworms (ancylostoma caninum and uncinaria stenocephala) and as an aid in removing tapeworms (taenia pisiformis, dipylidium caninum, and echinococcus granulosus) from dogs and cats. Toluene exists as a solid, possibly soluble (in water), and possibly neutral molecule. Toluene exists in all living species, ranging from bacteria to humans. Toluene is a potentially toxic compound. Toluene has been found to be associated with several diseases known as nonalcoholic fatty liver disease, pervasive developmental disorder not otherwise specified, perillyl alcohol administration for cancer treatment, and autism; also toluene has been linked to the inborn metabolic disorders including celiac disease. Methylbenzene Phenylmethane Toluen Toluol Methyl-benzene Methylbenzene, 9ci Methylbenzol Monomethyl benzene Phenyl-methane C7H8 92.1384 92.062600256 toluene toluene 108-88-3 CC1=CC=CC=C1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group. Organic compounds Benzenoids Benzene and substituted derivatives Toluenes Toluenes Aromatic hydrocarbons Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Hydrocarbon Toluene Unsaturated hydrocarbon Aromatic homomonocyclic compounds an aromatic compound methylbenzene toluenes Liquid melting_point -95 °C water_solubility 0.526 mg/mL at 25 °C logp 2.73 logp 2.56 ALOGPS logs -2.26 ALOGPS logp 2.49 ChemAxon iupac toluene ChemAxon average_mass 92.1384 ChemAxon mono_mass 92.062600256 ChemAxon smiles CC1=CC=CC=C1 ChemAxon formula C7H8 ChemAxon inchi InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 ChemAxon inchikey YXFVVABEGXRONW-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 31.1 ChemAxon polarizability 10.97 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 169 Specdb::CMs 2870 Specdb::CMs 27507 Specdb::CMs 27773 Specdb::CMs 28450 Specdb::CMs 29986 Specdb::CMs 101542 Specdb::CMs 101543 Specdb::CMs 101544 Specdb::CMs 101545 Specdb::CMs 161717 Specdb::MsMs 86466 Specdb::MsMs 86467 Specdb::MsMs 86468 Specdb::MsMs 148770 Specdb::MsMs 148771 Specdb::MsMs 148772 Specdb::MsMs 2822972 Specdb::MsMs 2822973 Specdb::MsMs 2822974 Specdb::MsMs 2858771 Specdb::MsMs 2858772 Specdb::MsMs 2858773 Specdb::NmrOneD 2126 Specdb::NmrOneD 3445 Specdb::NmrOneD 255888 Specdb::NmrOneD 255889 Specdb::NmrOneD 255890 Specdb::NmrOneD 255891 Specdb::NmrOneD 255892 Specdb::NmrOneD 255893 Specdb::NmrOneD 255894 Specdb::NmrOneD 255895 Specdb::NmrOneD 255896 Specdb::NmrOneD 255897 Specdb::NmrOneD 255898 Specdb::NmrOneD 255899 Specdb::NmrOneD 255900 Specdb::NmrOneD 255901 Specdb::NmrOneD 255902 Specdb::NmrOneD 255903 Specdb::NmrOneD 255904 Specdb::NmrOneD 255905 Specdb::NmrOneD 255906 Specdb::NmrOneD 255907 Milk 0.0127 +/- 0.00335 uM In raw milk samples for diets based on grass silage Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.0162 +/- 0.00727 uM In raw milk samples for diets based on maize silage Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.0217 +/- 0.00749 uM In raw milk samples for diets based on hay Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 C01455 FDB012454 DB11558 1140 C00051588 1108 17578 MBN Toluene Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694