1.0 2010-04-08 22:09:31 UTC 2019-11-26 03:04:40 UTC FDB011193 2,5-Dimethylfuran Maillard product 2,5-Dimethylfuran has been identified as one of the components of cigar smoke with low cilatoxicity (ability to adversely affect the cilia in the respiratory tract that are responsible for removing foreign particles). Its blood concentration can be used as a biomarker for smoking.; 2,5-Dimethylfuran, together with 2,5-hexanedione and 4,5-dihydroxy-2-hexanone, is one of the main metabolites of hexane in humans, which play a role in the mechanism for the neurotoxicity of hexane.; A derivative of furan, 2,5-dimethylfuran is a heterocyclic compound of the formula C6H8O. While it may be abbreviated DMF, it should not be confused with dimethylformamide. Recent advances have increased its attractiveness as a biofuel. 2,5-Dimethyl-furan 2,5-Dimethylfurane Furan, 2,5-dimethyl- C6H8O 96.1271 96.057514878 2,5-dimethylfuran 2,5-dimethylfuran 625-86-5 CC1=CC=C(C)O1 InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3 GSNUFIFRDBKVIE-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle logp 2.17 ALOGPS logs -1.10 ALOGPS solubility 7.55e+00 g/l ALOGPS melting_point Mp -63° logp 1.51 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2,5-dimethylfuran ChemAxon average_mass 96.1271 ChemAxon mono_mass 96.057514878 ChemAxon smiles CC1=CC=C(C)O1 ChemAxon formula C6H8O ChemAxon inchi InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3 ChemAxon inchikey GSNUFIFRDBKVIE-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 28.87 ChemAxon polarizability 11.09 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 676 Specdb::CMs 3096 Specdb::CMs 28881 Specdb::CMs 101314 Specdb::CMs 146122 Specdb::MsIr 6028 Specdb::MsIr 6029 Specdb::MsMs 8408 Specdb::MsMs 8409 Specdb::MsMs 8410 Specdb::MsMs 15080 Specdb::MsMs 15081 Specdb::MsMs 15082 Specdb::MsMs 2290443 Specdb::MsMs 2290444 Specdb::MsMs 2290445 Specdb::MsMs 2644329 Specdb::MsMs 2644330 Specdb::MsMs 2644331 Specdb::NmrOneD 2548 Specdb::NmrOneD 3245 Specdb::NmrOneD 118578 Specdb::NmrOneD 118579 Specdb::NmrOneD 118580 Specdb::NmrOneD 118581 Specdb::NmrOneD 118582 Specdb::NmrOneD 118583 Specdb::NmrOneD 118584 Specdb::NmrOneD 118585 Specdb::NmrOneD 118586 Specdb::NmrOneD 118587 Specdb::NmrOneD 118588 Specdb::NmrOneD 118589 Specdb::NmrOneD 118590 Specdb::NmrOneD 118591 Specdb::NmrOneD 118592 Specdb::NmrOneD 118593 Specdb::NmrOneD 118594 Specdb::NmrOneD 118595 Specdb::NmrOneD 118596 Specdb::NmrOneD 118597 HMDB33182 #<Reference:0x000055ce334b7a88> Garden onion Type 1 specific Allium cepa 4679 bacon beef chemical ethereal gravy meaty roast