1.0 2010-04-08 22:14:59 UTC 2019-11-26 03:18:50 UTC FDB020371 3-Ethylfuran Constituent of carob (Ceratonia siliqua) and coffee. 3-Ethylfuran is found in coffee and coffee products and pulses. 3-Ethyl-furan Furan, 3-ethyl- C6H8O 96.1271 96.057514878 3-ethylfuran 3-ethylfuran 67363-95-5 CCC1=COC=C1 InChI=1S/C6H8O/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3 RPCHNECSJGMRGP-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 2.51 ALOGPS logs -1.10 ALOGPS solubility 7.68e+00 g/l ALOGPS logp 2.07 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac 3-ethylfuran ChemAxon average_mass 96.1271 ChemAxon mono_mass 96.057514878 ChemAxon smiles CCC1=COC=C1 ChemAxon formula C6H8O ChemAxon inchi InChI=1S/C6H8O/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3 ChemAxon inchikey RPCHNECSJGMRGP-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 28.21 ChemAxon polarizability 10.65 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23933 Specdb::CMs 158144 Specdb::MsIr 9031 Specdb::MsIr 9032 Specdb::MsMs 319051 Specdb::MsMs 319052 Specdb::MsMs 319053 Specdb::MsMs 366031 Specdb::MsMs 366032 Specdb::MsMs 366033 Specdb::MsMs 2673817 Specdb::MsMs 2673818 Specdb::MsMs 2673819 Specdb::MsMs 3032195 Specdb::MsMs 3032196 Specdb::MsMs 3032197 Specdb::NmrOneD 42162 Specdb::NmrOneD 42163 Specdb::NmrOneD 42164 Specdb::NmrOneD 42165 Specdb::NmrOneD 42166 Specdb::NmrOneD 42167 Specdb::NmrOneD 42168 Specdb::NmrOneD 42169 Specdb::NmrOneD 42170 Specdb::NmrOneD 42171 Specdb::NmrOneD 42172 Specdb::NmrOneD 42173 Specdb::NmrOneD 42174 Specdb::NmrOneD 42175 Specdb::NmrOneD 42176 Specdb::NmrOneD 42177 Specdb::NmrOneD 42178 Specdb::NmrOneD 42179 Specdb::NmrOneD 42180 Specdb::NmrOneD 42181 HMDB40588 #<Reference:0x000055ce32499638> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Pulses Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390