1.0 2010-04-08 22:10:14 UTC 2019-11-26 03:07:04 UTC FDB012559 Furfuryl acetate Furfuryl acetate is a flavouring ingredient. It is found in wheat bread, crisp bread, roasted onion, pork liver, beer, rum, cocoa, coffee, roasted filbert, roasted peanut, roasted almond, shoyu, sukiyake, liquorice and Bourbon vanilla. 2-Acetoxymethylfuran 2-Furanmethanol acetate 2-Furanmethanol, 2-acetate 2-Furanmethanol, acetate 2-Furanmethyl acetate 2-Furfuryl acetate 2-Furfuryl-acetate 2-Furylcarbinyl acetate 2-Furylmethyl acetate Acetic acid furfuryl ester Acetic acid furfurylester FEMA 2490 Furfuryl acetate Furfuryl alcohol, acetate Furfuryl-ethanoate C7H8O3 140.1366 140.047344122 furan-2-ylmethyl acetate 2-furanmethanol, acetate 623-17-6 CC(=O)OCC1=CC=CO1 InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3 CKOYRRWBOKMNRG-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 Carbonyl compounds Carboxylic acid esters Furans Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Furan Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 1.33 ALOGPS logs -0.98 ALOGPS solubility 1.47e+01 g/l ALOGPS logp 0.71 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac furan-2-ylmethyl acetate ChemAxon average_mass 140.1366 ChemAxon mono_mass 140.047344122 ChemAxon smiles CC(=O)OCC1=CC=CO1 ChemAxon formula C7H8O3 ChemAxon inchi InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3 ChemAxon inchikey CKOYRRWBOKMNRG-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 34.42 ChemAxon polarizability 13.79 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6518 Specdb::MsIr 6519 Specdb::CMs 24298 Specdb::CMs 27252 Specdb::CMs 28503 Specdb::CMs 28895 Specdb::CMs 28977 Specdb::CMs 101589 Specdb::CMs 101590 Specdb::CMs 101591 Specdb::CMs 101592 Specdb::CMs 159517 Specdb::NmrOneD 125258 Specdb::NmrOneD 125259 Specdb::NmrOneD 125260 Specdb::NmrOneD 125261 Specdb::NmrOneD 125262 Specdb::NmrOneD 125263 Specdb::NmrOneD 125264 Specdb::NmrOneD 125265 Specdb::NmrOneD 125266 Specdb::NmrOneD 125267 Specdb::NmrOneD 125268 Specdb::NmrOneD 125269 Specdb::NmrOneD 125270 Specdb::NmrOneD 125271 Specdb::NmrOneD 125272 Specdb::NmrOneD 125273 Specdb::NmrOneD 125274 Specdb::NmrOneD 125275 Specdb::NmrOneD 125276 Specdb::NmrOneD 125277 Specdb::MsMs 105162 Specdb::MsMs 105163 Specdb::MsMs 105164 Specdb::MsMs 171606 Specdb::MsMs 171607 Specdb::MsMs 171608 Specdb::MsMs 2432068 Specdb::MsMs 2432069 Specdb::MsMs 2432070 Specdb::MsMs 2503616 Specdb::MsMs 2503617 Specdb::MsMs 2503618 HMDB34246 #<Reference:0x000056127183bfb0> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Coffee and coffee products Unknown generic Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Nuts Unknown generic Onion-family vegetables Unknown generic Red onion Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Root vegetables Unknown generic Welsh onion Type 1 specific Allium fistulosum 35875 banana fruity horseradish sweet