1.0 2016-05-19 02:15:43 UTC 2026-08-24 17:08:47 UTC 2-METHYLHEPTANOIC ACID SmallMolecule 2-METHYLHEPTANOIC ACID belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the chemical formula C8H16O2 and an average molecular weight of 144.21 g/mol. Industrially, the compound is utilized as a fragrance, as well as a nutrient and flavouring agent. It is found in or released from ten recorded sources across various categories. Within household cleaning and consumer products, it is associated with bleaching agents, perfumes within detergents and soaps, soap detergents, cigar cigarettes, and tobacco smoke filters. In the context of electrical and electronic equipment, it is detected in coils, antennas, hybrid capacitors, and electrically stimulated smoking devices. Additionally, it is present in food, food processing, and cookware, specifically within fermentation processes for beer. (±)-2-Methylheptanoic acid C8H16O2 144.2114 144.115029756 2-methylheptanoic acid 2-methylheptanoic acid 1188-02-9 CCCCCC(C)C(O)=O InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NKBWMBRPILTCRD-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Branched fatty acids Detected and Not Quantified logp 2.9 logp 2.61 ALOGPS logs -2.00 ALOGPS solubility 1.46e+00 g/l ALOGPS logp 2.8 ChemAxon pka_strongest_acidic 5.15 ChemAxon iupac 2-methylheptanoic acid ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCCCC(C)C(O)=O ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) ChemAxon inchikey NKBWMBRPILTCRD-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 40.25 ChemAxon polarizability 17.12 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721ff36540> 14475