1.0 2010-04-08 22:10:19 UTC 2019-11-26 03:07:27 UTC FDB012718 2-Methylfuran Maillard product 2-Methylfuran is a flammable, water-soluble liquid with a chocolate odor, found naturally in Myrtle and Dutch Lavender used as a FEMA GRAS flavoring substance, with the potential for use in alternative fuels. 2-Methylfuran is found in tamarind. α-methylfuran 2-Methyl furan 2-METHYL-FURAN 2-Methylfuran (acd/name 4.0) 2-Methylfuran [UN2301] [Flammable liquid] 2-methylfurane 5-Methylfuran a-Methylfuran alpha -Methylfuran Alpha-methylfuran Furan, 2-methyl- Furan, methyl- Methyl furan Methylfuran Methylfuran (dot) Silvan Sylvan C5H6O 82.1005 82.041864814 2-methylfuran silvan 534-22-5 CC1=CC=CO1 InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3 VQKFNUFAXTZWDK-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 Liquid logp 1.75 ALOGPS logs -0.81 ALOGPS solubility 1.26e+01 g/l ALOGPS melting_point -87.5 oC logp 1.31 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-methylfuran ChemAxon average_mass 82.1005 ChemAxon mono_mass 82.041864814 ChemAxon smiles CC1=CC=CO1 ChemAxon formula C5H6O ChemAxon inchi InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3 ChemAxon inchikey VQKFNUFAXTZWDK-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 23.72 ChemAxon polarizability 8.85 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 90951 Specdb::MsMs 90952 Specdb::MsMs 90953 Specdb::MsMs 154230 Specdb::MsMs 154231 Specdb::MsMs 154232 Specdb::MsMs 2836221 Specdb::MsMs 2836222 Specdb::MsMs 2836223 Specdb::MsMs 2872079 Specdb::MsMs 2872080 Specdb::MsMs 2872081 Specdb::MsIr 2945 Specdb::MsIr 2946 Specdb::NmrOneD 99878 Specdb::NmrOneD 99879 Specdb::NmrOneD 99880 Specdb::NmrOneD 99881 Specdb::NmrOneD 99882 Specdb::NmrOneD 99883 Specdb::NmrOneD 99884 Specdb::NmrOneD 99885 Specdb::NmrOneD 99886 Specdb::NmrOneD 99887 Specdb::NmrOneD 99888 Specdb::NmrOneD 99889 Specdb::NmrOneD 99890 Specdb::NmrOneD 99891 Specdb::NmrOneD 99892 Specdb::NmrOneD 99893 Specdb::NmrOneD 99894 Specdb::NmrOneD 99895 Specdb::NmrOneD 99896 Specdb::NmrOneD 99897 Specdb::CMs 25190 Specdb::CMs 28879 Specdb::CMs 29409 Specdb::CMs 29527 Specdb::CMs 100056 Specdb::CMs 100057 Specdb::CMs 100058 Specdb::CMs 133085 Specdb::CMs 140819 HMDB13749 Blackberry Type 1 specific Rubus Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Evergreen blackberry Type 1 specific Rubus laciniatus Milk (Cow) Type 2 specific 0.001005 0.00151 0.000627 uM Tamarind Type 1 specific Tamarindus indica 58860 acetone chocolate ethereal