1.0 2010-04-08 22:13:16 UTC 2025-11-19 01:57:35 UTC FDB017724 Triton X 305 Pesticide diluent in foods 2-(4-tert-Octylphenoxy)ethanol a-[4-(1,1,3,3-Tetramethylbutyl)phenyl]-w-hydroxypoly(oxy-1,2-ethanediyl), 9CI Ethanol, 2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]- (6CI,7CI,8CI) p-tert-Octylphenyl (2-hydroxyethyl)ether C16H26O2 250.382 250.193280077 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol triton X 2315-67-5 CC(C)(C)CC(C)(C)C1=CC=C(OCCO)C=C1 InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3 JYCQQPHGFMYQCF-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Phenylpropanes Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Aromatic homomonocyclic compounds Alkyl aryl ethers Hydrocarbon derivatives Phenol ethers Phenoxy compounds Primary alcohols Alcohol Alkyl aryl ether Aromatic homomonocyclic compound Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Phenylpropane Primary alcohol a small molecule logp 5.07 ALOGPS logs -4.30 ALOGPS solubility 1.26e-02 g/l ALOGPS logp 4.15 ChemAxon pka_strongest_acidic 15.1 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol ChemAxon average_mass 250.382 ChemAxon mono_mass 250.193280077 ChemAxon smiles CC(C)(C)CC(C)(C)C1=CC=C(OCCO)C=C1 ChemAxon formula C16H26O2 ChemAxon inchi InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3 ChemAxon inchikey JYCQQPHGFMYQCF-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 75.71 ChemAxon polarizability 30.23 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 115206 Specdb::CMs 129504 Specdb::CMs 993519 Specdb::CMs 993520 Specdb::MsMs 44781 Specdb::MsMs 44782 Specdb::MsMs 44783 Specdb::MsMs 139170 Specdb::MsMs 139171 Specdb::MsMs 139172 Specdb::MsMs 3496262 Specdb::MsMs 3496263 Specdb::MsMs 3496264