1.0 2010-04-08 22:14:59 UTC 2019-11-26 03:18:50 UTC FDB020370 2-Ethylfuran Constituent of numerous plant subspecies and cooked foods e.g. chicken, beef, pork liver, coffee, tea, roasted filbert, soybean, rice, oats etc. Flavouring ingredient. 2-Ethylfuran is found in many foods, some of which are roselle, tea, kohlrabi, and sweet basil. 2-ETHYL FURAN 2-Ethyl furane 2-Ethyl-furan 2-Ethyloxole alpha-Ethyl-furan Alpha-ethylfuran FEMA 3673 Furan, α-ethyl- Furan, 2-ethyl- C6H8O 96.1271 96.057514878 2-ethylfuran 2-ethylfuran 3208-16-0 CCC1=CC=CO1 InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3 HLPIHRDZBHXTFJ-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 2.50 ALOGPS logs -1.09 ALOGPS solubility 7.78e+00 g/l ALOGPS logp 1.84 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-ethylfuran ChemAxon average_mass 96.1271 ChemAxon mono_mass 96.057514878 ChemAxon smiles CCC1=CC=CO1 ChemAxon formula C6H8O ChemAxon inchi InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3 ChemAxon inchikey HLPIHRDZBHXTFJ-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 28.25 ChemAxon polarizability 10.79 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2557 Specdb::CMs 28880 Specdb::CMs 102174 Specdb::CMs 151431 Specdb::NmrOneD 4471 Specdb::NmrOneD 4597 Specdb::NmrOneD 42142 Specdb::NmrOneD 42143 Specdb::NmrOneD 42144 Specdb::NmrOneD 42145 Specdb::NmrOneD 42146 Specdb::NmrOneD 42147 Specdb::NmrOneD 42148 Specdb::NmrOneD 42149 Specdb::NmrOneD 42150 Specdb::NmrOneD 42151 Specdb::NmrOneD 42152 Specdb::NmrOneD 42153 Specdb::NmrOneD 42154 Specdb::NmrOneD 42155 Specdb::NmrOneD 42156 Specdb::NmrOneD 42157 Specdb::NmrOneD 42158 Specdb::NmrOneD 42159 Specdb::NmrOneD 42160 Specdb::NmrOneD 42161 Specdb::MsIr 9029 Specdb::MsIr 9030 Specdb::MsMs 62337 Specdb::MsMs 62338 Specdb::MsMs 62339 Specdb::MsMs 119037 Specdb::MsMs 119038 Specdb::MsMs 119039 Specdb::MsMs 2772440 Specdb::MsMs 2772441 Specdb::MsMs 2772442 Specdb::MsMs 2909405 Specdb::MsMs 2909406 Specdb::MsMs 2909407 HMDB40587 #<Reference:0x000055ce319b4bf0> Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Breakfast cereal Type 2 specific Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Cereals and cereal products Unknown generic Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Coffee and coffee products Unknown generic Corn Type 1 specific Zea mays 4577 Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Green tea Type 1 Herbal tea Type 1 Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.008 0.008 0.008 mg/100 g Nuts Unknown generic Pulses Unknown generic Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Roselle Type 1 specific Hibiscus sabdariffa 183260 Spearmint Type 1 specific Mentha spicata 29719 Sweet basil Type 1 specific Ocimum basilicum 39350 Sweet bay Type 1 specific Laurus nobilis 85223 Sweet cherry Type 1 specific Prunus avium 42229 Tea Type 1 specific Camellia sinensis 4442 burnt earthy malty sweet