1.0 2016-06-03 12:32:03 UTC 2026-08-20 01:12:45 UTC octyl (R)-2-(4-chloro-2-methylphenoxy)propionate SmallMolecule octyl (R)-2-(4-chloro-2-methylphenoxy)propionate is an organic compound with the chemical formula C18H27ClO3 and an average molecular weight of 326.86 g/mol. octyl (R)-2-(4-chloro-2-methylphenoxy)propionate belongs to the 2-phenoxypropionic acid esters, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified as a member of the benzenoids superclass. The compound has been identified in or released from 19 recorded sources across multiple sectors. Within aquatic systems and sediments, it is found in seawater, freshwater, surface water, and groundwater. It is also present in drinking water and water supply sources, including tap water, bottled water, desalinated water, and drinking water. In the sector of wastewater, sanitation, and biosolids, the compound is detected in wastewater, unspecified wastewater, mine wastewater, and wastewater treatment effluent. Additional sources include agriculture and land management via irrigation water, and marine, shipping, and aquaculture through bilge water and ballast water. It is also associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers, as well as two other sectors. Recorded routes of human exposure to the compound include oral, inhalation, and touch. PMT C18H27ClO3 326.86 326.1648724 octyl (2R)-2-(4-chloro-2-methylphenoxy)propanoate octyl (2R)-2-(4-chloro-2-methylphenoxy)propanoate 66423-13-0 [H][C@](C)(OC1=CC=C(Cl)C=C1C)C(=O)OCCCCCCCC InChI=1S/C18H27ClO3/c1-4-5-6-7-8-9-12-21-18(20)15(3)22-17-11-10-16(19)13-14(17)2/h10-11,13,15H,4-9,12H2,1-3H3/t15-/m1/s1 QWQMRXFSCXUHMR-OAHLLOKOSA-N Organic compounds Benzenoids Benzene and substituted derivatives 2-phenoxypropionic acid esters 2-phenoxypropionic acid esters Alkyl aryl ethers Aryl chlorides Carbonyl compounds Carboxylic acid esters Chlorobenzenes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organochlorides Phenol ethers Phenoxy compounds Phenoxyacetic acid derivatives Toluenes 2-phenoxypropionic acid ester Alkyl aryl ether Aromatic homomonocyclic compound Aryl chloride Aryl halide Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chlorobenzene Ether Halobenzene Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Phenol ether Phenoxy compound Phenoxyacetate Toluene Aromatic homomonocyclic compounds Detected and Not Quantified logp 6.9 logp 6.55 ALOGPS logs -6.37 ALOGPS solubility 1.40e-04 g/l ALOGPS logp 6.23 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac octyl (2R)-2-(4-chloro-2-methylphenoxy)propanoate ChemAxon average_mass 326.86 ChemAxon mono_mass 326.1648724 ChemAxon smiles [H][C@](C)(OC1=CC=C(Cl)C=C1C)C(=O)OCCCCCCCC ChemAxon formula C18H27ClO3 ChemAxon inchi InChI=1S/C18H27ClO3/c1-4-5-6-7-8-9-12-21-18(20)15(3)22-17-11-10-16(19)13-14(17)2/h10-11,13,15H,4-9,12H2,1-3H3/t15-/m1/s1 ChemAxon inchikey QWQMRXFSCXUHMR-OAHLLOKOSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 89.99 ChemAxon polarizability 37.11 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226ba4ba0> 6455325 4957594