1.0 2010-04-08 22:10:19 UTC 2019-11-26 03:07:26 UTC FDB012717 5-Hydroxymethyl-2-furancarboxaldehyde 5-Hydroxymethyl-2-furancarboxaldehyde or simply HMF is obtainable from various carbohydrates. It is found in garden tomatoes, garden onion, and tobacco oil. Constituent of numerous plant spp.. Used as an index of heat treatment and deterioration in food such as tomato paste, honey and fruit juices. Also an indicator of adulteration with acid-converted invert sugars. 5-Hydroxymethylfurfural is a biomarker for the consumption of beer. 2-Formyl-5-hydroxymethylfuran 2-Furaldehyde, 5-(hydroxymethyl)- 2-Furancarboxaldehyde, 5-(hydroxymethyl)- 2-Hydroxymethyl-5-furfural 5-(Hyddroxymethyl)Furfurole 5-(Hydroxymethyl)-2-formylfuran 5-(Hydroxymethyl)-2-furaldehyde 5-(Hydroxymethyl)-2-furancarbonal 5-(Hydroxymethyl)-2-furancarboxaldehyde 5-(Hydroxymethyl)-2-furfural 5-(hydroxymethyl)-2-furfural (HMF) 5-(Hydroxymethyl)-2-furfuraldehyde 5-(Hydroxymethyl)furan-2-aldehyde 5-(Hydroxymethyl)furfural 5-(Hydroxymethyl)furfurole 5-HMF 5-Hydroxymethyl furaldehyde 5-Hydroxymethyl-2-formylfuran 5-HYDROXYMETHYL-2-FURALDEHYDE 5-Hydroxymethyl-2-furancarbaldehyde 5-Hydroxymethyl-2-furfural 5-hydroxymethyl-furfural 5-Hydroxymethylfuraldehyde 5-Hydroxymethylfuran-2-aldehyde 5-Hydroxymethylfurfural 5-Hydroxymethylfurfuraldehyde 5-Hydrxoymethylfurfural 5-methylolfurfural 5-Oxymethylfurfurole HMF Hydroxymethylfurfural Hydroxymethylfurfuralaldehyde Hydroxymethylfurfuraldehyde Hydroxymethylfurfurole C6H6O3 126.11 126.031694058 5-(hydroxymethyl)furan-2-carbaldehyde hydroxymethylfurfural 67-47-0 OCC1=CC=C(O1)C=O InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 NOEGNKMFWQHSLB-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. Aryl-aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Aromatic alcohols Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Primary alcohols Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Aryl-aldehyde Furan Heteroaromatic compound Hydrocarbon derivative Organic oxide Organoheterocyclic compound Oxacycle Primary alcohol a small molecule arenecarbaldehyde furans primary alcohol Solid logp -0.17 ALOGPS logs -0.61 ALOGPS solubility 3.11e+01 g/l ALOGPS melting_point Mp 35-35.5° (31.5°) logp -0.1 ChemAxon pka_strongest_acidic 13.65 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5-(hydroxymethyl)furan-2-carbaldehyde ChemAxon average_mass 126.11 ChemAxon mono_mass 126.031694058 ChemAxon smiles OCC1=CC=C(O1)C=O ChemAxon formula C6H6O3 ChemAxon inchi InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 ChemAxon inchikey NOEGNKMFWQHSLB-UHFFFAOYSA-N ChemAxon polar_surface_area 50.44 ChemAxon refractivity 31.73 ChemAxon polarizability 12.03 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1584 Specdb::CMs 1102 Specdb::CMs 14143 Specdb::CMs 29006 Specdb::CMs 31647 Specdb::CMs 43837 Specdb::CMs 132468 Specdb::CMs 140202 Specdb::MsIr 6570 Specdb::MsIr 6571 Specdb::MsIr 6572 Specdb::NmrOneD 3959 Specdb::NmrOneD 4241 Specdb::NmrOneD 125898 Specdb::NmrOneD 125899 Specdb::NmrOneD 125900 Specdb::NmrOneD 125901 Specdb::NmrOneD 125902 Specdb::NmrOneD 125903 Specdb::NmrOneD 125904 Specdb::NmrOneD 125905 Specdb::NmrOneD 125906 Specdb::NmrOneD 125907 Specdb::NmrOneD 125908 Specdb::NmrOneD 125909 Specdb::NmrOneD 125910 Specdb::NmrOneD 125911 Specdb::NmrOneD 125912 Specdb::NmrOneD 125913 Specdb::NmrOneD 125914 Specdb::NmrOneD 125915 Specdb::NmrOneD 125916 Specdb::NmrOneD 125917 Specdb::MsMs 105327 Specdb::MsMs 105328 Specdb::MsMs 105329 Specdb::MsMs 171798 Specdb::MsMs 171799 Specdb::MsMs 171800 Specdb::MsMs 2436043 Specdb::MsMs 2436044 Specdb::MsMs 2436045 Specdb::MsMs 2526186 Specdb::MsMs 2526187 Specdb::MsMs 2526188 HMDB34355 FUX #<Reference:0x000055ce31a121b0> Beer Type 2 specific 4.325 4.325 4.325 mg/100 g Garden onion Type 1 specific Allium cepa 4679 Garden tomato Type 1 specific Solanum lycopersicum 4081 Grape wine Type 2 specific 7.5 7.5 7.5 mg/100 g caramel cardboard fatty musty waxy