1.0 2016-05-19 02:09:53 UTC 2026-03-31 22:35:08 UTC 4-HYDROXY-3-PENTENOIC ACID LACTONE SmallMolecule 4-HYDROXY-3-PENTENOIC ACID LACTONE belongs to the furanones, a subclass of dihydrofurans within the organic compounds. This organoheterocyclic compound has the chemical formula C5H6O2 and an average molecular weight of 98.10 g/mol. In industrial applications, it is utilized as a fragrance as well as a flavouring and nutrient. The compound is identified in 16 recorded sources across various categories. Within household cleaning and consumer products, it is found in perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and pipe accessories, among three other sources. In the sector of electrical and electronic equipment, it occurs in electrodes, fixed capacitors and their manufacture, hybrid capacitors, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. Additionally, it is present in food preservation and food contact materials within the food, food processing and cookware category, and it is detected in indoor air. Recorded routes of exposure to this substance include inhalation, oral intake, and touch. 5-Methyl-2(3H)-furanone 5-methyl-2,3-dihydrofuran-2-one alpha-Angelica lactone C5H6O2 98.101 98.036779433 5-methyl-2,3-dihydrofuran-2-one 5-methyl-2(3H)-furanone 591-12-8 CC1=CCC(=O)O1 InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3 QOTQFLOTGBBMEX-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Butenolides Carbonyl compounds Enol esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 2-furanone Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enol ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Aliphatic heteromonocyclic compounds angelica lactone butenolide Detected and Not Quantified logp 0.74 ALOGPS logs 0.21 ALOGPS solubility 1.61e+02 g/l ALOGPS logp 0.23 ChemAxon pka_strongest_acidic 16.07 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 5-methyl-2,3-dihydrofuran-2-one ChemAxon average_mass 98.101 ChemAxon mono_mass 98.036779433 ChemAxon smiles CC1=CCC(=O)O1 ChemAxon formula C5H6O2 ChemAxon inchi InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3 ChemAxon inchikey QOTQFLOTGBBMEX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 26.22 ChemAxon polarizability 9.66 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae572c68> 11559 11071