Compound: 4-nonylphenol
SMILES: Oc1ccc(CCCCCCCCC)cc1
InChIKey: IGFHQQFPSIBGKE-UHFFFAOYSA-N
Synonyms: 4-nonylphenol, 4-n-Nonylphenol, 104-40-5, p-Nonylphenol, para-Nonylphenol, Phenol, 4-nonyl-, p-n-Nonylphenol, para Nonyl phenol, DTXSID5033836, 4-Nonyl-Phenol, I03GBV4WEL, DTXCID001857, CHEBI:34440, RefChem:526046, 203-199-4, 4-nonyl phenol, Phenol, p-nonyl-, 4-n-Nonyl phenol, p -n -Nonylphenol, MFCD00002396, 4-tert-nonylphenol, CAS-104-40-5, CCRIS 1251, HSDB 5359, EINECS 203-199-4, UNII-I03GBV4WEL, BRN 2047450, nonyl-phenol, p-nonyl phenol, p-nonyl-phenol, Para-nonyl phenol, 4-Nonylphenol, tech., Spectrum_001973, SpecPlus_000624, P-NONYLPHENOL (ENDOCRINE DISRUPTER), Spectrum2_001832, Spectrum3_000872, Spectrum4_000712, Spectrum5_002066, BIDD:PXR0002, SCHEMBL15887, BSPBio_002543, KBioGR_001263, KBioSS_002539, SPECTRUM330085, 3-06-00-02067 (Beilstein Handbook Reference), BIDD:ER0006, DivK1c_006720, SCHEMBL525165, SPBio_001903, CHEMBL153062, SCHEMBL2686704, SCHEMBL9515541, KBio1_001664, KBio2_002530, KBio2_005098, KBio2_007666, KBio3_002043, 4-N-Nonylphenolmixture of isomers, 4-Nonylphenol, analytical standard, Tox21_201241, Tox21_303647, BDBM50410532, CCG-39613, LMPK15010001, MSK001668, SBB059316, STL453644, AKOS015888197, NCGC00090918-01, NCGC00090918-02, NCGC00090918-03, NCGC00090918-05, NCGC00090918-06, NCGC00090918-07, NCGC00090918-08, NCGC00257420-01, NCGC00258793-01, PD002549, NS00010283, ST50827096, 4-n-Nonylphenol 10 microg/mL in Acetonitrile, 4-n-Nonylphenol 10 microg/mL in Cyclohexane, 4-n-Nonylphenol 100 microg/mL in Cyclohexane, G83718, 4-Nonylphenol, PESTANAL(R), analytical standard, SR-05000002459, Q4545806, SR-05000002459-1, 4-Nonylphenol, certified reference material, TraceCERT(R)
Theoretical properties:
molecular_formula: C15H24O
molecular_weight: 220.35 g/mol
exact_mass: 220.182715385 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 8
heavy_atom_count: 16
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Viscous, yellow liquid
color: Viscous, yellow liquid
boiling_point: 317 °C
melting_point: 42 °C
density: 0.950 g/cu cm at 20 °C
solubility: In water, 7 mg/L at 25 °C
flash_point: 113 °C (235 °F) - closed cup
vapor_pressure: 0.000818 [mmHg]
Descriptions:
pubchem: 4-nonylphenol is a member of the class of phenols that is phenol which is para-substituted with a nonyl group. It has a role as an environmental contaminant.
chebi: A member of the class of phenols that is phenol which is <em>para</em>-substituted with a nonyl group.
chembl: 4-NONYLPHENOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Nonylphenols are a family of closely related organic compounds composed of phenol bearing a 9 carbon-tail. Nonylphenols can come in numerous structures, all of which may be considered alkylphenols. They are used in manufacturing antioxidants, lubricating oil additives, laundry and dish detergents, emulsifiers, and solubilizers. They are used extensively in epoxy formulation in North America but its use has been phased out in Europe. These compounds are also precursors to the commercially important non-ionic surfactants nonylphenol ethoxylates (a subgroup of the alkylphenol ethoxylates), which are used in detergents, paints, pesticides, personal care products, and plastics. Nonylphenol has attracted attention due to its prevalence in the environment and its potential role as an endocrine disruptor and xenoestrogen, due to its ability to act with estrogen-like activity. The estrogenicity and biodegradation heavily depends on the branching of the nonyl sidechain. Nonylphenol has been found to act as an agonist of the GPER (GPR30).