Nonylphenol

HCID 67296CAS 136-83-4

Basic information

Standard SMILES
CCCCCCCCCc1ccccc1O
InChIKey
SNQQPOLDUKLAAF-UHFFFAOYSA-N
Molecular formula
C15H24O
Average molar mass
220.35 g/mol
Monoisotopic mass
220.18271539

Overview

Nonylphenol appears as a thick, yellowish liquid with a slight phenolic odor. Insoluble in water. Flash point 285 °F. Burns although difficult to ignite. May irritate the skin. Used in the manufacture of oil additives, surfactants, fungicide preparations and plastics and rubber.

Names & identifiers

Preferred name
Nonylphenol
IUPAC
2-nonylphenol
English name
o-nonylphenol
Molecular formula
C15H24O
Molecular weight
220.35

Names & synonyms

Phenol, nonyl-Nonyl phenoln-NonylphenolDTXSID3021857Hydroxyl No. 253Prevostsel VON-100RefChem:88777Nonanal-methyl anthranilateNonyl phenol (mixed isomers)79F6A2ILP5DTXCID301285171NSC-71410
Show more names
2-n-Nonylphenol 100 μg/ml Acetone
246-672-025154-52-3Nonylphenol2-Nonylphenol136-83-4o-NonylphenolPhenol, 2-nonyl-2-n-nonylphenol

Database identifiers

CAS
136-83-4、25154-52-3
PubChem CID
67296
DTXSID
DTXSID9073125
UNII
24R8721A3S
EC Number
205-263-7、246-672-0
Nikkaji
J141.394E

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
8
Heavy atoms
16

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Phenols
UVCBUVCB
SpringerMaterials PropertiesDensity
LogP · 2 items

log Kow = 5.71 (average of 3 isomers)

5.76

OdorSlight phenolic odor
Density · 3 items

0.9494 at 77 °F (USCG, 1999) - Less dense than water; will float

0.950 at 20 °C/4 °C

0.950 @ 20°C

Physicochemical properties

Melting point
19 · 19-20 °C
Boiling point
176 · 176-177 °C
Density
0.9309 g/cm3 · 0.9309 g/cm3(Temp: 23 °C)
form
Clear, straw-colored liquid; technical grade is a mixture of isomers, predominantly para-substituted
pka
10.42 · 10.42±0.30(Predicted)
FDA UNII
24 R8721A3S · 24R8721A3S

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

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

This chemical does not meet GHS hazard criteria for 0.1% (2 of 1869) of reports.

Danger

H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory Information · 6 items

Chemical: Phenol, nonyl-

Hazard Traits - Bioaccumulation; Endocrine Toxicity; Environmental tox

Phenol, nonyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, nonyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

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

Restricted substance: Nonylphenol C6H4(OH)C9H19

Substance: Nonylphenol

Other Safety InformationIMAP assessments - Nonylphenols: Human health tier II assessment
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Fire PotentialCombustible when exposed to heat or flame.
Health HazardsModerately toxic if swallowed. Severely irritating to skin and eyes. (USCG, 1999)

Safety & protection

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidEYES: wash with water for 15 min. and get medical attention.
Fire Fighting Procedures · 2 items

Alcohol foam, dry chemical, or carbon dioxide. Water or foam may cause frothing. Cool exposed containers with water.

If material on fire or involved in fire: Use dry chemical or carbon dioxide. Do not use water on material itself. If large quantities of combustibles are involved, use water in flooding quantities as spray and fog. Use water spray to knock-down vapors. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible.

Storage ConditionsStore in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature: 2-8 °C.
Cleanup Methods · 4 items

Environmental considerations - water spill: Neutralize with agricultural lime (CaO), crushed limestone (CaCO3), or sodium bicarbonate (NaHCO3). If dissolved, in region of 10 ppm of greater concentration, apply activated carbon at ten times the spilled amount. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.

Environmental considerations - land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash or cement powder. Neutralize with agricultural lime (CaO), crushed limestone (CaCO3) or sodium bicarbonate (NaHCO3).

Environmental considerations - air spill: Apply water spray or mist to knock down vapors.

Accidental Release Measures. Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. 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: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Toxicology

Body Burden · 1 item

Nonylphenol has been detected in human breast milk, blood, and urine(1). Breast milk from German women contained nonylphenol levels of 0.3 ug/kg(2). Adipose tissues collected from surgeries in Italy between 2005 and 2007 contained nonylphenol concentrations of 10-226 ng/g with a mean concentration of 122 ng/g(3).

Interactions · 2 items

The aim of this study was to assess the toxicological risks arising from the coexistence of polyethylene glycol coated single-walled carbon nanotubes (SWCNTs-PEG) and a known environmental contaminant: 4-nonylphenol (NP). To this end, in vitro toxicity assays involving the exposure of 3T3-L1 cells (mouse embryonic fibroblasts) to SWCNTs-PEG alone or in combination with NP for 24 or 48 h were performed. Experimental treatments were conducted in both presence (10%) and absence of serum in order to evaluate its influence on the toxicity of SWCNTs-PEG. Although the results provided no unambiguous evidences of synergistic toxicity between SWCNTs-PEG and NP, some specific treatments with mixtures (SWCNTs-PEG+NP) resulted in an unexpected combined toxicity in relation to the individual treatments. Only in those cases the interaction between SWCNTs-PEG and NP could have a synergistic effect on the resulting toxicity. The addition of 10% serum increased the stability of SWCNTs-PEG in the culture medium-possibly by steric repulsions-and reduced the toxicity of nanoparticles as a result. Overall, the serum had a "protective effect" on cells against all treatments: SWCNTs-PEG, NP or their mixtures (SWCNTs-PEG+NP). Raman spectroscopy allowed the intracellular distribution of SWCNTs-PEG to be elucidated.

This study investigated the effects that 4-nonylphenol (NP) has on CYP1A1 expression in Hepa-1c1c7 cell cultures. NP alone did not affect CYP1A1-specific 7-ethoxyresorufin-O-deethylase (EROD) activity. In contrast, the 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD)-inducible EROD activities were markedly reduced upon concomitant treatment with TCDD and NP in a dose-dependent manner. Treatment with tamoxifen, an anti-estrogen that acts through the estrogen receptor, did not affect the suppressive effects that NP has on TCDD-inducible EROD activity. The TCDD-inducible CYP1A1 mRNA levels were markedly suppressed upon concomitant treatment with TCDD and NP that is consistent with their effects on EROD activity. A transient transfection assay using dioxin-response element (DRE)-linked luciferase and an electrophoretic mobility shift assay revealed that NP reduced the transformation of the aryl hydrocarbon (Ah) receptor to a form capable of binding specifically to the DRE sequence of the CYP1A1 gene promoter. These results suggest that the down-regulation of CYP1A1 gene expression by NP in Hepa-1c1c7 cells might be an antagonism of the DRE-binding potential of the nuclear Ah receptor, but is not mediated through the estradiol receptor.

Ecotoxicity Values · 5 items

LC50; Species: Pimephales promelas (fathead minnow) weight 220 mg; Conditions: flow-through bioassay, dissolved oxygen 7.4 (4.6-8.8) mg/L, water hardness 44.9 (42.4-46.6) mg/L as calcium carbonate, pH 6.9-7.7, alkalinity 42.9 (39.6-61.4) mg/L calcium carbonate, temp: 26.4 + or - 1.4 °C; Concentration: 0.164 (0.145-0.186) mg/L for 48 hr /Purity 91% 4-nonylphenol, 4% 2-nonylphenol, 2% nonylphenol/

LC50; Species: Pimephales promelas (fathead minnow) weight 220 mg; Conditions: flow-through bioassay, dissolved oxygen 7.4 (4.6-8.8) mg/L, water hardness 44.9 (42.4-46.6) mg/L as calcium carbonate, pH 6.9-7.7, alkalinity 42.9 (39.6-61.4) mg/L calcium carbonate, temp: 26.4 + or - 1.4 °C; Concentration: 0.137 (0.34-0.140) mg/L for 72 hr /Purity 91% 4-nonylphenol, 4% 2-nonylphenol, 2% nonylphenol/

LC50; Species: Pimephales promelas (fathead minnow) weight 220 mg; Conditions: flow-through bioassay, dissolved oxygen 7.4 (4.6-8.8) mg/L, water hardness 44.9 (42.4-46.6) mg/L as calcium carbonate, pH 6.9-7.7, alkalinity 42.9 (39.6-61.4) mg/L calcium carbonate, temp: 26.4 + or - 1.4 °C; Concentration: 0.135 (0.098-0.187) mg/L for 96 hr /Purity 91% 4-nonylphenol, 4% 2-nonylphenol, 2% nonylphenol/

LC50; Species: Bay Mussel; Concentration: 3.0 mg/L for 96 hr /Conditions of bioassay not specified/

For more Ecotoxicity Values (Complete) data for NONYLPHENOL (14 total), please visit the HSDB record page.

Environmental Fate · 3 items

TERRESTRIAL FATE: Nonylphenol is a mixture of isomeric monoalkyl phenols, predominately para substituted with a nine-carbon chain(1). Based on a classification scheme(2), a measured Koc range of 10,000 to 50,000 in a variety of soils(3,4), indicates that nonylphenol is expected to be immobile in soil(SRC). Volatilization of nonylphenol from moist soil surfaces is expected to occur given an estimated Henry's Law constant of 5.6X10-6 atm-cu m/mole(SRC), derived from its vapor pressure, 9.4X10-5 mm Hg(5), and water solubility, 4.9 mg/L(6). However, adsorption to soil is expected to attenuate volatilization(SRC). Nonylphenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(5). Acclimation and lag periods can be important factors in biodegradation rates(7,8). Most dissipation studies of nonylphenol in soil found primary degradation half-lives of 2.1-51 days(7). Results of photolysis tests in water(9) suggest that some photodegradation of nonylphenol may occur on soil surfaces exposed to sunlight(SRC).

AQUATIC FATE: Nonylphenol is a mixture of isomeric monoalkyl phenols, predominately para substituted with a nine-carbon chain(1). Based on a classification scheme(2), measured Koc range of 6.91X10+4 to 3.98X10+5 for suspended material and sediment(3), indicates that nonylphenol is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon an estimated Henry's Law constant of 5.6X10-6 atm-cu m/mole(SRC), derived from its vapor pressure, 9.4X10-5 mm Hg(5), and water solubility, 4.9 mg/L(6). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 10 and 77 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 about 10 years if adsorption is considered(7). According to a classification scheme(8), BCFs ranging from 87-1250(9-11), suggests the potential for bioconcentration in aquatic organisms is moderate to very high(SRC). However, under most conditions, depuration in fish will be rapid which suggest that long-term bioconcentration may be low(SRC). Acclimation and lag periods can be important factors in biodegradation rates(9,12). The results from simulation tests demonstrate that nonylphenol degrades and dissipates with a half-life range 2.5-56 days in surface water and 13.6-99 days in sediment under aerobic conditions(12). Dissipation from the surface water may be caused by adsorption to sediment(12). Different results exist for biodegradation in sediment under anaerobic conditions with half-lives of 46.2 days (primary degradation) to >703 days(12). Results of photolysis tests in water(13) suggest that some photodegradation of nonylphenol may occur in surface waters exposed to sunlight(SRC). Hydrolysis is a negligible removal processes for nonylphenol in the aquatic environment(14).

ATMOSPHERIC FATE: Nonylphenol is a mixture of isomeric monoalkyl phenols, predominately para substituted with a nine-carbon chain(1). According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(2), nonylphenol, which has a vapor pressure of 9.4X10-5 mm Hg at 25 °C(3), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 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(4). Based on analogy to measured rate constants for various alkylphenols(5), the rate constant for the vapor-phase reaction of nonylphenol with atmospheric nitrate radicals is about 1.0X10-11 cu cm/molecule-sec at 25 °C(SRC); this corresponds to an atmospheric half-life of about 5 minutes at an atmospheric concentration of 2.5X10+8 nitrate radicals per cu cm(6). The nitrate radical (NO3) is the dominant atmospheric oxidant during the night-time in most atmospheric environments(7), therefore, night-time degradation appears to be a major environmental sink for nonylphenol(SRC). Particulate-phase nonylphenol may be removed from the air by wet and dry deposition(SRC). Phenol and alkylphenols absorb at wavelengths >290 nm(8) and therefore, by analogy, nonylphenol may be susceptible to direct photolysis by sunlight(SRC).

Food Survey Values · 1 item

Nonyphenol was identified in raw beef samples (concentration not specified)(1). Nonylphenol concentrations of 1.47-4.52 ug/kg dry weight were detected in farm vegetables (cabbage, spinach, lettuce, mustard, eggplant, cowpea, bitter gourd, ash gourd and leek) collected from 27 vegetable farms in the Pearl River Delta region of South China in 2009 and 2010(2). Results of analysis of 60 different foodstuffs commercially available in Germany for nonylphenols indicated the nonylphenols are ubiquitous in foods(3); the concentration of nonylphenols on a fresh weight basis varied from 0.1 to 19.4 ug/kg(3).

Adverse EffectsDermatotoxin - Skin burns.

Regulatory information

TSCA Requirements · 2 items

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. Nonylphenol (mixed isomers) is included on this list. Effective date: 3/29/96; Sunset date: 6/30/98.

Atmospheric Standards · 1 item

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Nonylphenol is produced, as an intermediate or a final product, by process units covered under this subpart.

Chemistry & industry

Pharmacology

Mechanism of Action · 1 item

Nonylphenol (NP) and 4-Octylphenol (4OP) have shown estrogenic properties both in vivo and in vitro. Researchers have known for years that estrogens induce a wide number of hepatotoxic actions in rodents. In order to study the acute hepatic effects exerted by NP and 4OP on rat liver the following endpoints were evaluated: relative liver weight (RLW), morphology, cell cycle and ploidy status, monooxygenase enzymes content and levels of both, cytosolic estrogen receptor (cER) and microsomal binding sites for estrogens (mEBS). Immature male Sprague-Dawley rats were injected intraperitoneally (i.p.) with 60 mg/kg of NP or 4OP for 1, 5 or 10 days. Despite the fact that RLW of the animals was not modified but any treatment, the histopathological study revealed the presence of an increase in the percentage of both, mitotic activity and Ki-67-labeling index (LI) in the livers from animals treated with alkylphenols in absence of any degenerative lesion. Furthermore, all the livers from alkylphenols-treated groups showed the presence of abnormal mitosis and c-mitosis. Although the levels of both, cER and cytochrome P450 (Cyt. P450) were not affected by any treatment, concentration of the mEBS was decreased after 10 days of treatment with alkylphenols. These findings taken together suggest that the exposition to alkylphenols induce cell proliferation and spindle disturbances and that these compounds are capable of modulating the expression of putative membrane receptors for estrogens.

Biological Half-Life · 2 items

In this study, the pharmacokinetic behavior of 4-nonylphenol (NP) was investigated in human volunteers...Both after intravenous and oral application, the elimination half-life of the parent compound from the blood was 2-3 hr.

Serum toxicokinetics of total NP /in Sprague-Dawley rats/, measured following gavage administration, showed rapid absorption and elimination (average half-times 0.8 and 3.5 h, respectively).

Metabolism/Metabolites · 1 item

Mass spectrometry was used to quantify NP and metabolites in serum and endocrine-responsive tissues from dietary exposure in Sprague-Dawley rats. Tissue accumulation of NP aglycone was observed despite the predominance of glucuronidation in blood.

Absorption, Distribution and Excretion · 4 items

Only about 1% of the oral dose entered circulation.

Mass spectrometry was used to quantify NP and metabolites in serum and endocrine-responsive tissues from dietary exposure in Sprague-Dawley rats. Tissue accumulation of NP aglycone was observed despite the predominance of glucuronidation in blood. Serum toxicokinetics of total NP, measured following gavage administration, showed rapid absorption and elimination (average half-times 0.8 and 3.5 h, respectively). NP was similarly administered by gavage to pregnant dams and total and aglycone NP were measured in dam serum and fetuses to show placental transfer into serum and brain.

...juvenile salmon...were exposed in vivo to waterborne [3H]-4-n-NP for a period up to 72 h or were administered a single oral dose of [3H]-4-n-NP. In vitro biotransformation of NP was studied by exposure of cultured salmon hepatocytes to [3H]-4-n-NP in the presence or absence of a CYP1A-inducer, -naphthoflavone (NF). Our results show that 4-n-NP was mainly metabolized in vivo, to its corresponding glucuronide conjugates and hydroxylates. The major route of excretion was the bile. The half-life of residues in carcass and muscle was between 24 and 48 h in both waterborne and dietary exposure. In whole body autoradiography, intragastric administered [3H]-4-n-NP was mainly present in the gastrointestinal tract and bile. NP-derived radioactivity in fish exposed via water was more evenly distributed in the organs compared to intragastric exposure and were observed in the intestinal contents, liver, kidney, gills, skin, abdominal fat and brain. In vitro pretreatment of hepatocytes with NF had no effect on rates or patterns of NP biotransformation. The in vitro metabolic rate of NP were 118 pmol NP metabolized/h/0.5x106 cells without NF, and 98 pmol NP metabolized/h/0.5x106 cells when NF was added to the culture medium./4-nonylphenol/

In this study, the pharmacokinetic behavior of 4-nonylphenol (NP) was investigated in human volunteers...Bioavailability after oral application (determined by oral and intravenous AUCs) was about 20%. NP seems to distribute into the lipid phase of the body within 2 h.

Uses & manufacturing

Uses · 6 items

Used as a chemical intermediate, an additive to plastics and rubber, a stabilizer in drilling muds, a demulsifier in petroleum, and a disinfectant; [HSDB] Used in the chemical, leather processing, paper/pulp, polymers, and textiles industries; Used as a disinfectant, intermediate, lubricant additive, softener, stabilizer, surface-active agent, anti-oxidizing agent, and denaturing agent; [IUCLID]

Petroleum Production and Refining [Category: Industry]

Shale and clay stabilizer in drilling muds.

Nonionic surfactant (nonbiodegradable), lubricating-oil additives, stabilizers, petroleum demulsifiers, fungicides, antioxidants for plastics and rubber.

Bactericides; dyes; drugs; adhesives

Used as a heat stabilizer to protect polymers with repeating units of chlorine or bromine against heat or UV degradation

U.S. Exports(1984) 7.10X10+10 g /Alcohols, Phenols, and their derivatives/
U.S. Imports · 3 items

(1974) 3.66X10+8 GRAMS (PRINCPL CUSTMS DISTS)

(1975) 2.58X10+8 GRAMS (PRINCPL CUSTMS DISTS)

(1984) 6.48x10+8 G /ALKYL PHENOLS/

U.S. Production · 6 items

2023: 75,000 - <500,000 lb

(1972) 4.56X10+10 GRAMS

(1975) 3.08X10+10 GRAMS

(1984) 7.34X10+10 g

(1991) 82,116,000 kg

For more U.S. Production (Complete) data for NONYLPHENOL (6 total), please visit the HSDB record page.

Consumption Patterns · 5 items

55% as a chemical intermediate for surfactants, 25% as a chemical intermediate for plastic and rubber antioxidants, 15% as a chemical intermediate for lube oil additives, and 5% in other uses (1977).

CHEMICAL PROFILE: Nonylphenol. Surfactants (primarily industrial and institutional), 70%; rubber and plastic antioxidants, 20%; other, including lube oil additives, 10%.

CHEMICAL PROFILE: Nonylphenol. Demand: 1985: 185 million lb; 1986: 190 million lb; 1990 /projected/: 215 million lb.

CHEMICAL PROFILE: Nonylphenol. Surfactants (primarily industrial and institutional), 70%; rubber and plastic antioxidants, 20%; other, including lube oil additives, 10%.

CHEMICAL PROFILE: Nonylphenol. Demand: 1988: 200 million lb; 1989: 202 million lb; 1993 /projected/: 210 million lb. (Imports and exports are minor.)

Consumer UsesNot Known or Reasonably Ascertainable

Applications

UsesPrincipal use as an intermediate in the production of nonionic ethoxylated surfactants; as an intermediate in the manufacture of phosphite antioxidants used for the plastics and rubber industries

Suppliers2 total

上海马氏化学科技有限公司19916721580 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

Related reactions

13 records

Linked notes

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