4-Nonylphenol

HCID 1752CAS 104-40-5

Grundinformationen

Standard-SMILES
CCCCCCCCCc1ccc(O)cc1
InChIKey
IGFHQQFPSIBGKE-UHFFFAOYSA-N
Summenformel
C15H24O
Durchschnittliche Molmasse
220,35 g/mol
Monoisotopische Masse
220,18271539

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
4-Nonylphenol
IUPAC
4-nonylphenol
Lokaler Name
p-Nonylphenol
Englischer Name
4-NONYLPHENOL
Summenformel
C15H24O
Molmasse
220.35

Namen und Synonyme

4-nonylphenol4-n-Nonylphenol104-40-5p-Nonylphenolpara-NonylphenolPhenol, 4-nonyl-p-n-Nonylphenolpara Nonyl phenolDTXSID50338364-Nonyl-PhenolI03GBV4WELDTXCID001857
Weitere Namen anzeigen
PNP4-nonyl-pheno4-NonyL-2Gal-ßp-Nonylhenol
CHEBI:34440RefChem:526046203-199-44-nonyl phenolPhenol, p-nonyl-4-n-Nonyl phenolp -n -NonylphenolMFCD00002396

Datenbank-Bezeichner

CAS
104-40-5
PubChem CID
1752
DTXSID
DTXSID5033836
ChEMBL
CHEMBL153062
ChEBI
CHEBI:34440
EC Number
203-199-4
Nikkaji
J45.974G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,9
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
8
Schwere Atome
16

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Phenols

Waste-water effluent contaminant

LipidsLipids -> Polyketides [PK] -> Phenolic lipids [PK15] -> Alkyl phenols and derivatives [PK1501]
SpringerMaterials PropertiesBoiling point
SurfactantsSurfactant
LogP · 2 Einträge

log Kow = 5.76

5.76

Density0.950 g/cu cm at 20 °C

Physikochemische Eigenschaften

Schmelzpunkt
43 · 43-44°C
Siedepunkt
293 · 293-297 °C
Dichte
0.937 g/mL · 0.937 g/mL at 25 °C(lit.)
Dampfdruck
0.109 Pa · 0.109Pa at 25℃
Brechungsindex
20 · n20/D 1.511(lit.)
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 67.6% (447 of 661) of all reports.

Danger

H302 (32.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 661 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory Information · 6 Einträge

Chemical: Phenol, 4-nonyl-

Hazard Traits - Endocrine Toxicity

SP - indicates a substance that is identified in a proposed Significant New Use Rule.

Status: Active Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17497

Substance: p-nonylphenol

Phenol, 4-nonyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Nonylphenols: Human health tier II assessment
Hazards SummaryReproductive effects include developmental abnormalities of the urogenital tract; [RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
TSCA Requirements · 2 Einträge

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 3/29/96; Reporting date: 5/29/96.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 4-Nonylphenol is included on this list. Effective date: 3/29/96; Sunset date: 6/30/98.

Toxic Combustion ProductsSpecial hazards arising from the substance or mixture: Carbon oxides.
Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (32.2%)

Acute toxicity - category 4

Hazardous to the aquatic environment (Acute) - Category 1

Sicherheit und Schutzausrüstung

Fire Fighting Procedures · 2 Einträge

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.

Storage ConditionsKeep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Non-combustible, corrosive hazardous materials.
Cleanup Methods · 1 Eintrag

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.

Disposal Methods · 2 Einträge

SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber; Contaminated packaging: Dispose of as unused product.

Preventive Measures · 5 Einträge

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

Precautions for safe handling: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Further processing of solid materials may result in the formation of combustible dusts. The potential for combustible dust formation should be taken into consideration before additional processing occurs. Provide appropriate exhaust ventilation at places where dust is formed.

Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. Ensure that the local ventilation moves the contaminant away from the worker.

Personal Protective Equipment (PPE) · 4 Einträge

Eye/face protection: Face shield and safety glasses. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection: Handle with gloves.

Body Protection: Complete suit protecting against chemicals. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.

Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face particle respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Toxikologische Informationen

Body Burden · 1 Eintrag

4-Nonylphenol was detected in 51% of 371 urine samples collected in the US with a median concentration of <0.1 ug/L(1). 4-Nonylphenol was detected in adipose, liver and brain tissue of eleven autopsy patients in 2002 in Antwerp, Belgium at <0.004-0.161, <0.003-1.401 and <0.004-0.009 ng/g wet weight, respectively(2). In hair samples collected from 42 people residing in Pomerania, Poland, 4-nonylphenol was detected at 5.4-23,829.5 ng/g dry weight(3). 4-Nonylphenol was detected in three Japanese human milk samples at 0.65-1.4 ng/g(4).

Interactions · 2 Einträge

Lysophosphatidic acid (LPA) signaling via G protein-coupled transmembrane LPA receptors (LPA1 to LPA6) mediates a variety of cellular functions, including cell proliferation, migration, morphogenesis, and differentiation. Recently, we demonstrated that the different induction of LPA receptors by estrogens regulates cell motile activity of rat liver epithelial WB-F344 cells. In the present study, to assess whether endocrine disruptors (EDs) are involved in cellular functions through LPA signaling, we measured cell motile activity and LPA receptor expressions in WB-F344 cells treated with bisphenol A (BPA) and 4-nonylphenol (4-NP). Using quantitative real time RT-PCR analysis, the Lpar1 expression was elevated in BPA-treated cells, whereas the Lpar3 expression was decreased. In contrast, 4-NP increased the Lpar3 expression, but not the Lpar1 and Lpar2. For cell motility assay with a Cell Culture Insert, cell motile activity of BPA-treated cells was significantly lower than that of untreated cells. In contrast, 4-NP markedly enhanced cell motile activity. The effects of BPA and 4-NP on cell motility were inhibited by the Lpar1 or Lpar3 knockdown. These results suggest that BPA and 4-NP may regulate cell motile activity through the different induction of LPA receptors in WB-F344 cells.

Contaminant exposure in aqueous systems typically involves complex chemical mixtures. Given the large number of compounds present in the environment, it is critical to identify hazardous chemical interactions rapidly. The present study utilized a prototype for a novel high-throughput assay to quantify behavioral changes over time to identify chemical interactions that affect toxicity. The independent and combined effects of 2 chemicals, diazinon (an insecticide) and 4-nonylphenol (a detergent metabolite), on the swimming behavior of the freshwater crustacean Daphnia pulex were examined. Cumulative distance and change in direction were measured repeatedly via optical tracking over 90 min. Exposure to low concentrations of diazinon (0.125-2 uM) or 4-nonylphenol (0.25-4 uM) elicited significant concentration- and time-dependent effects on swimming behavior. Exposure to 0.5 uM 4-nonylphenol alone did not significantly alter mean cumulative distance but did elicit a small, significant increase in mean angle, the measure of change in direction. When 0.5 uM 4-nonylphenol was used in combination with diazinon (0.125-0.5 uM), it augmented the adverse impact of diazinon on the swimming behavior of Daphnia. Additionally, enhanced sensitivity to diazinon was observed in animals exposed to treated wastewater effluent for 24 hr prior to a diazinon challenge. The present experiments demonstrate that exposure to 4-nonylphenol and complex chemical mixtures (e.g., treated wastewater) can enhance the toxicity of exposure to the insecticide diazinon.

Ecotoxicity Values · 5 Einträge

EC50; Species: Scenedesmus subspicatus (Green Algae); Conditions: freshwater, static; Concentration: 870 ug/L for 72 hr; Effect: decreased population growth />98% purity/

EC50; Species: Scenedesmus subspicatus (Green Algae); Conditions: freshwater, static; Concentration: 424000 ug/L for 49-72 min; Effect: population decreased photosynthesis /formulation/

EC50; Species: Pseudokirchneriella subcapitata (Green Algae) exponential growth phase strain 22662, axenic culture; Conditions: freshwater, static, 23 °C, pH 7.35-8.3, hardenss 32-641 mg/L CaCO3; Concentration: 500 ug/L for 72 hr; Effect: population decreased biomass /85% purity/

EC50; Species: Pseudokirchneriella subcapitata (Green Algae) exponential growth phase strain 22662, axenic culture; Conditions: freshwater, static, 23 °C, pH 8.2, hardenss 48.4 mg/L CaCO3; Concentration: 530 ug/L for 72 hr; Effect: population decreased biomass /85% purity/

For more Ecotoxicity Values (Complete) data for 4-Nonylphenol (46 total), please visit the HSDB record page.

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), Koc values of 6900-53,300(2-4) indicate that 4-nonylphenol is expected to be immobile in soil(SRC). Volatilization of 4-nonylphenol from moist soil surfaces is expected(SRC) given an estimated Henry's Law constant of 3.4X10-5 atm-cu m/mole(SRC), based upon its vapor pressure, 8.18X10-4 mm Hg(5), and water solubility, 7 mg/L(6). However, adsorption to soil is expected to attenuate volatilization(SRC). 4-Nonylphenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(5). 4-Nonylphenol is expected to biodegrade rapidly in soil based on degradation of >90% in 20 days(6); however, the field dissipation half-life of 4-nonylphenol in soils treated with centrifuge dried biosolids and lagoon dried biosolids was 257 and 248 days, respectively(7).

AQUATIC FATE: Based on a classification scheme(1), Koc values of 6900-53,300(2-4) indicate that 4-nonylphenol is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(5) based upon an estimated Henry's Law constant of 3.4X10-5 atm-cu m/mole(SRC), derived from its vapor pressure, 8.18X10-4 mm Hg(6), and water solubility, 7 mg/L(7). Using this Henry's Law constant and an estimation method(5), volatilization half-lives for a model river and model lake are 1.8 and 17 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 1.3-9.6 years if adsorption is considered(8). According to a classification scheme(9), BCFs of 15-1300 measured in a variety of fish(10-12), suggest bioconcentration in aquatic organisms is low to very high depending on the species. Based on the biodegradation of 4-nonylphenol in seawater of about 50% after 58 days, 4-nonylphenol is expected to biodegrade in the aqueous environment(13).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 4-nonylphenol, which has a vapor pressure of 8.18X10-4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 4-nonylphenol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 7.5 hours(SRC), calculated from its rate constant of 5.2X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 4-Nonylphenol does not absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Food Survey ValuesApples, tomatoes and grapes washed in food detergents contained 4-nonylphenol residues of 0.95-2.75, 1.72-3.45 and 1.55-2.47 ng/g, respectively(1).
Adverse Effects · 1 Eintrag

Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment.

Regulatorische Informationen

TSCA Requirements · 2 Einträge

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 3/29/96; Reporting date: 5/29/96.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 4-Nonylphenol is included on this list. Effective date: 3/29/96; Sunset date: 6/30/98.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3145 8/PG 2
RTECS-Nr.
SM5650000
risk_code
22-34-50/53-62-63
hazard_code
C,N

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 3 Einträge

Alkylphenols are weak estrogenic environmental contaminants and have been implicated in the disruption of endocrine function in wildlife. The influence of biotransformation, tissue distribution, and elimination on biological activity was investigated in juvenile rainbow trout following a single iv dose of [(3)H]4-nonylphenol. Distribution and elimination of [(3)H]4-nonylphenol residues in tissues sampled 1, 2, 4, 24, 48, 72, and 144 hr after dosing was determined by sample combustion and liquid scintillation counting (LSC). Total 3H-labeled residue concentrations in trout 144 hr after dosing were in order: bile >> feces >> liver > pyloric caeca > kidney > brain, gill, gonad, heart, plasma, skeletal muscle, and skin. The depletion kinetics of [(3)H]residues from tissues and plasma was biphasic with prolonged beta-phase half-lives in muscle and liver of 99 hr. Radio-HPLC analysis of metabolites in bile, liver, pyloric caeca, and feces samples demonstrated similar profiles and contrasted with muscle where only parent compound was found. The predominant metabolite in bile was a glucuronide conjugate of 4-nonylphenol. Other metabolites included glucuronide conjugates of ring or side chain hydroxylated 4-nonylphenol. Liver contained a low level (1.7%) of covalently bound residues. Metabolism studies using isolated trout hepatocytes produced a similar range of metabolites and a sulfate conjugate of hydroxylated 4-nonylphenol. Despite rapid metabolism and excretion, a substantial depot of parent compound remained in muscle which will have implications for the maintenance of 4-nonylphenol residues and associated biological activity.

4-Nonylphenol (4-NP) is a well-known toxic environmental contaminant. The major objective of the present study was to identify reactive metabolites of 4-NP. Following incubations of 4-NP with NADPH- and GSH-supplemented human liver microsomes, 6 GSH conjugates, along with 19 oxidized metabolites, were detected by UPLC/Q-TOF mass spectrometry utilizing the mass defect filter method. Several authentic key metabolite standards were chemically synthesized for structural identification. Three GSH conjugates were found to derive from quinone methide intermediates, and the other three resulted from ortho-benzoquinone intermediates. Conjugation of the quinone methides with GSH produced benzylic-orientated GSH conjugates by 1,6-addition, while the reaction of the ortho-benzoquinone intermediates offered aromatic-orientated GSH conjugates. The conversion of 4-NP to the quinone methides and ortho-hydroquinones required cytochromes P450, specifically CYPs1A2, 2C19, 2D6, 2E1, and 3A4, while the oxidation of ortho-benzohydroquinones to the corresponding benzoquinones was apparently independent of microsomal enzymes. The ortho-benzoquinone derived from 4-NP was isomerized to the corresponding hydroxyquinone methide, and the former dominated the latter at a rate of approximately 20:1. The findings of the quinone methide and benzoquinone metabolites intensified the concern on the impact of 4-NP exposure on human health.

4-nonylphenol has known human metabolites that include (4-Nonylphenyl) hydrogen sulfate.

Absorption, Distribution and Excretion · 1 Eintrag

4-nonylphenol (4-NP) is an estrogenic endocrine active chemical that is present in detergents and is known to contaminate food and drinking water. The aim of the present study was to evaluate whether 4-NP crosses the human placenta and if so, to what extent. Human placentae obtained from healthy term singleton pregnancies were utilized in a dual ex-vivo re-circulating model of placental perfusion. Six placentae were perfused for 180 min following addition of 4-NP (30 ng/mL) to the maternal perfusate. Antipyrine and FITC dextran were used as positive and negative controls respectively to validate the integrity of the circuits. 4-NP was measured by High Performance Liquid Chromatography coupled with Fluorescence Detection (HPLC-FD). After 180 min of perfusion the transfer percentages for antipyrine and 4-NP were 25.6 +/- 1.4% (mean +/- s.e.m, n = 6) and 22.75 +/- 3.76% respectively and the transfer index for 4-NP was 0.8. We conclude that the intact form of 4-NP at environmentally relevant concentrations can transfer across the human placenta albeit at a slow rate.

Cellular LocationsMembrane

Verwendung und Herstellung

Uses · 2 Einträge

Used with mixed-metal stabilizers for heat stabilization of plastics and to make phenolic resins; [HSDB]

Routinely used as a co-stabilizer with mixed-metal stabilizers for heat stabilization during plastic production

U.S. Production · 2 Einträge

(1984) 7.34X10+10 g

(1993) 87,638,000 kg

Methods of Manufacturing · 2 Einträge

p-Nonylphenol (PNP) is produced by the alkylation of phenol with nonene under acid catalysis. All commercially produced PNP is made from nonene based on the trimerization of propylene.

Reaction of nonene, branched with phenol by a Friedel Crafts alkylation, coproduced with dionylphenol. /Nonylphenol/

Formulations/Preparations · 1 Eintrag

The two commercial purity grades of 4-nonylphenol are a technical grade which is composed of 10-12% 2-nonylphenol, 85-90% 4-nonylphenol, and up to 5% 2,4-dinonylphenol, and a high purity grade which contains 5% maximum 2-nonylphenol, 95% minimum 4-nonylphenol, and only a trace of 2,4-dinonylphenol.

General Manufacturing Information · 2 Einträge

Phenol, 4-nonyl-: ACTIVE

A mixture of isomeric monoalkylphenols, predominantly p-substituted /Nonylphenol/

Anwendungen

Verwenden4-nonylphenol is used in the process for the manufacture of 5-nonyl salicylaldoxime, which is used for the selective purification and concentration of copper ions.

Anbieter50 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of phenols that is phenol which is para-substituted with a nonyl group.

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