1.0 2010-04-08 22:09:23 UTC 2019-11-26 03:04:22 UTC FDB010951 2,4-Dimethylfuran Found in garlic and leek oil. Flavouring ingredient 2,4-Dimethyl-furan Furan, 2,4-dimethyl- C6H8O 96.1271 96.057514878 2,4-dimethylfuran 2,4-dimethylfuran 3710-43-8 CC1=CC(C)=CO1 InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3 AABTWRKUKUPMJG-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 2.22 ALOGPS logs -1.11 ALOGPS solubility 7.53e+00 g/l ALOGPS logp 1.83 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 2,4-dimethylfuran ChemAxon average_mass 96.1271 ChemAxon mono_mass 96.057514878 ChemAxon smiles CC1=CC(C)=CO1 ChemAxon formula C6H8O ChemAxon inchi InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3 ChemAxon inchikey AABTWRKUKUPMJG-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 28.76 ChemAxon polarizability 11 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5843 Specdb::CMs 18037 Specdb::CMs 158705 Specdb::MsMs 68895 Specdb::MsMs 68896 Specdb::MsMs 68897 Specdb::MsMs 127038 Specdb::MsMs 127039 Specdb::MsMs 127040 Specdb::MsMs 2739316 Specdb::MsMs 2739317 Specdb::MsMs 2739318 Specdb::MsMs 2970042 Specdb::MsMs 2970043 Specdb::MsMs 2970044 Specdb::NmrOneD 117038 Specdb::NmrOneD 117039 Specdb::NmrOneD 117040 Specdb::NmrOneD 117041 Specdb::NmrOneD 117042 Specdb::NmrOneD 117043 Specdb::NmrOneD 117044 Specdb::NmrOneD 117045 Specdb::NmrOneD 117046 Specdb::NmrOneD 117047 Specdb::NmrOneD 117048 Specdb::NmrOneD 117049 Specdb::NmrOneD 117050 Specdb::NmrOneD 117051 Specdb::NmrOneD 117052 Specdb::NmrOneD 117053 Specdb::NmrOneD 117054 Specdb::NmrOneD 117055 Specdb::NmrOneD 117056 Specdb::NmrOneD 117057 HMDB32965 #<Reference:0x000055ce32f7f228> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875