1.0 2016-05-19 03:04:00 UTC 2026-05-14 19:43:30 UTC 1,2-Octanediol SmallMolecule 1,2-Octanediol belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound has a chemical formula of C7H4FNO4 and an average molecular weight of 185.11 g/mol. In industrial applications, 1,2-Octanediol serves several roles and uses, acting as a biocide, preservative, and antioxidant. It is further utilized as a humectant, deodorizer, fragrance, and as a softener and conditioner. The substance is found in or released from 13 recorded sources. Within household cleaning and consumer products, it is present in soap detergents, soap dispensers, perfumes within detergents and soaps, bleaching agents, and cigar cigarettes. In the sector of electrical and electronic equipment, it is associated with fixed capacitors and their manufacture, hybrid capacitors, thin magnetic films, electrically stimulated smoking devices, and superconductive or hyperconductive conductors cables or transmission lines. Additionally, it is found in drinking water and water supply, as well as in food, food processing and cookware, specifically within fermentation processes for beer. The recorded route of exposure for this compound is oral. octane-1,2-diol C7H4FNO4 185.11 185.012435776 3-fluoro-4-nitrobenzoic acid 3-fluoro-4-nitrobenzoic acid 1117-86-8 OC(=O)C1=CC(F)=C(C=C1)N(=O)=O InChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11) WVZBIQSKLXJFNX-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Nitrobenzoic acids and derivatives 3-halobenzoic acids Aryl fluorides Benzoic acids Benzoyl derivatives Carboxylic acids Fluorobenzenes Halobenzoic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Nitroaromatic compounds Nitrobenzenes Organic oxides Organic oxoazanium compounds Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 3-halobenzoic acid 3-halobenzoic acid or derivatives Allyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compound Aryl fluoride Aryl halide Benzoic acid Benzoyl C-nitro compound Carboxylic acid Carboxylic acid derivative Fluorobenzene Halobenzene Halobenzoic acid Halobenzoic acid or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives Nitroaromatic compound Nitrobenzene Nitrobenzoate Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 1.51 logp 1.63 ALOGPS logs -2.93 ALOGPS solubility 2.18e-01 g/l ALOGPS logp 1.71 ChemAxon pka_strongest_acidic 3.19 ChemAxon iupac 3-fluoro-4-nitrobenzoic acid ChemAxon average_mass 185.11 ChemAxon mono_mass 185.012435776 ChemAxon smiles OC(=O)C1=CC(F)=C(C=C1)N(=O)=O ChemAxon formula C7H4FNO4 ChemAxon inchi InChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11) ChemAxon inchikey WVZBIQSKLXJFNX-UHFFFAOYSA-N ChemAxon polar_surface_area 83.12 ChemAxon refractivity 40.86 ChemAxon polarizability 14.51 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72263617e0> DB14589 14231 13595