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4-Nonylphenol is used intermediate in manufacture of nonionic surfactants (e.g., nonylphenol ethoxylates).
4-Nonylphenol is used in production of 5-nonyl salicylaldoxime, a reagent for copper purification.
4-Nonylphenol is used starting material in synthesis of resins and stabilizers for plastics.
CAS Number: 104-40-5
EC Number / EINECS: 203-199-4
Molecular Formula: C₁₅H₂₄O
Molecular Weight: 220.35 g/mol
SYNONYMS:
4-Nonylphenol, p-Nonylphenol, para-Nonylphenol, Phenol, 4-nonyl-, Phenol, nonyl-, 4-n-Nonylphenol, PNP, 4-N-Nonylphenol, Para-nonyl phenol, p-n-Nonylphenol, Nonylphenol-4, Phenol nonyl, 104-40-5, C15H24O, 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), 4- nonylphenol, p- nonylphenol, phenol, 4-nonyl-, phenol, p-nonyl-, Phenol, p-nonyl-, p-Nonylphenol, 4-n-Nonyl phenol, Phenol, 4-nonyl-, para Nonyl phenol, 4-Nonylphenol, Phenol, nonyl-, 4-Nonylphenol, p-Nonylphenol, para-Nonylphenol, p-n-Nonylphenol, 4-n-Nonylphenol, PNP,4-N-NONYLPHENOL,P-NONYLPHENOL,Phenol, 4-nonyl-,PARA-NONYLPHENOL,4-NonyL,-2Gal-ßp-Nonylhenol,4-NONYLPHENOL,4-nonyl-pheno
4-Nonylphenol is viscous colourless liquid with a phenol-like smell
4-Nonylphenol is a member of the class of phenols that is phenol which is para-substituted with a nonyl group.
4-Nonylphenol is sparingly Soluble (0.020 g/L) at 25°C.
IUPAC name 4-Nonylphenol, branched and linear, ethoxylated [substances with a linear and/or branched alkyl chain with a carbon number of 9 covalently bound in position 4 to phenol, ethoxylated covering UVCB- and well-defined substances, polymers and homologues, which include any of the individual isomers and/or combinations thereof]
4-Nonylphenol-d5 is the deuterium labeled 4-Nonylphenol.
4-Nonylphenol, a major degradation product of Nonylphenol ethoxylates (NPEOs), is a persistent organic pollutant with endocrine-disrupting properties and exerts estrogenic activity.
4-Nonylphenol is an organic aromatic compound in the alkylphenol family.
4-Nonylphenol consists of a phenol ring with a nonyl chain (nine-carbon) attached in the para (4-) position.
4-Nonylphenol occurs as a solid/viscous liquid and has a phenolic odor.
4-Nonylphenol is not commonly found in pure form in nature but is used industrially and considered an environmental pollutant.
4-Nonylphenol is an organic compound of the wider family of alkylphenols.
4-Nonylphenol is a product of industrial synthesis formed during the alkylation process of phenols, particularly in the synthesis of polyethoxylate detergents.
Because of their man-made origins, nonylphenols are classified as xenobiotics.
In nonylphenols, a hydrocarbon chain of nine carbon atoms is attached to the phenol ring in either the ortho (2), meta (3), or para (4) position, with the most common ring isomers being ortho or para (e.g. figure 1 para-nonylphenol).
Moreover, the alkyl chains can exist as either linear n-alkyl chains, or complex branched chains.
Nonylphenol is commonly obtained as a mixture of isomers, and is thus usually found as a pale yellow liquid at room temperature with a freezing point of -10°C and a boiling point of 295-320°C.
However, pure isomers of nonylphenol crystallize readily at room temperatures and for example, para-n-nonylphenol, forms white crystals at room temperature.
4-Nonylphenol is an organic compound consisting of an n-nonyl group attached to the 4-position of phenol.
The related nonylphenols with branched nonyl groups are commercially important detergents.
4-Nonylphenol's insoluble in water, but soluble in organic compounds like benzene and heptane.
4-Nonylphenol (4-NP) is a synthetic organic compound belonging to the alkylphenol family.
4-Nonylphenol (4-NP) is a synthetic organic compound that belongs to the family of alkylphenols.
Chemically, 4-Nonylphenol is a phenolic compound characterized by a phenol molecule substituted at the para position with a nonyl group.
4-Nonylphenol is produced during the industrial alkylation of phenols, and is considered a xenobiotic and a nanoplastic.
A xenobiotic is any chemical substance found within an organism that is not naturally produced or expected to be present within that organism.
This broad definition includes a wide range of substances, such as drugs, environmental pollutants, food additives, and industrial chemicals.
Nanoplastics (NPs) are defined as plastic particles that are smaller than 1 nanometer in size.
4-nonylphenol is classified as a high-production-volume chemical.
USES and APPLICATIONS of 4-NONYLPHENOL:
Uses of 4-Nonylphenol: weevil pheromone, shows estrogenic activity
Uses of 4-Nonylphenol: Principal 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
4-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.
4-Nonylphenol is used in manufacturing antioxidants, lubricating oil additives, laundry and dish detergents, emulsifiers, and solubilizers.
4-Nonylphenol is also be used to produce tris(4-nonyl-phenyl) phosphite (TNPP).
4-Nonylphenol is used with mixed-metals stabilizers for heat stabilization of plastic and is a starting material for producing phenol resins.
4-Nonylphenol has industrial and chemical roles, primarily as a chemical intermediate.
4-Nonylphenol is used intermediate in manufacture of nonionic surfactants (e.g., nonylphenol ethoxylates).
Intermediate for phosphite antioxidants used in plastics and rubber.
4-Nonylphenol is used in production of 5-nonyl salicylaldoxime, a reagent for copper purification.
4-Nonylphenol is used starting material in synthesis of resins and stabilizers for plastics.
Historically, 4-Nonylphenol is used in detergents, pesticides, and other formulations, though some uses are restricted due to environmental concerns.
4-Nonylphenol is also recognized as an emerging environmental contaminant due to its persistence and biological activity.
4-nonylphenol is a member of the class of phenols that is phenol which is para-substituted with a nonyl group.
4-Nonylphenol has a role as an environmental contaminant.
Environmental pollutant arising from the degradation of nonionic surfactants in sewage Nonoxynol-9, one of the APEs, 4-Nonylphenol is used as a surfactant in cleaning and cosmetic products, and as a spermicide in contraceptives.
4-Nonylphenol is a phenolic chemical with a nonyl side chain that is widely used as a chemical intermediate for surfactants, antioxidants, and resin stabilizers.
4-Nonylphenol has the typical properties of hydrophobic organic aromatics — low water solubility, high boiling point, and a strong phenolic odor.
CHEMICAL CHARACTERISTICS of 4-NONYLPHENOL:
*Functional Group:
Phenol (aromatic ring with hydroxyl group).
*Hydrophobic:
Very low water solubility, high partition coefficient.
Stable under normal temperature/pressure; incompatible with strong oxidizers.
NOTES of 4-NONYLPHENOL:
Store 4-Nonylphenol in a cool, dry conditions in a well sealed container.
4-Nonylphenol is incompatible with oxidizing agent.
SOURCES AND ENVIRONMENTAL PRESENCE of 4-NONYLPHENOL:
4-Nonylphenol (NP) originates from the degradation of nonionic surfactants, which are widely used in numerous industrial and household products such as herbicides, cosmetics, paints, plastics, disinfectants, and detergents.
The primary sources of NP in the environment include:
*Industrial Effluents:
wastewater from industrial plants, especially those involved in the production of textiles, pesticide formulations, paints, and cleaning agents.
*Domestic Wastewater:
effluents from household cleaning products and personal care products containing nonylphenol ethoxylates (NPEOn).
*Agricultural Runoff:
use of NP in pesticides and herbicides that enter water bodies through runoff.
*Wastewater Treatment Plants:
NPEOn entering wastewater treatment facilities biodegrades into NP and other byproducts, which are often more toxic and refractory.
4-Nonylphenol and its derivatives including NPEOn are persistent in various environmental matrices including river water, seawater, soil, sediments, and aquatic organisms.
Due to 4-Nonylphenol'physicochemical characteristics like low solubility and high hydrophobicity, NP tends to accumulate in aquatic environments and living creatures.
PHYSICAL and CHEMICAL PROPERTIES of 4-NONYLPHENOL:
IUPAC Name: 4-nonylphenol
CAS Number: 104-40-5
EC Number / EINECS: 203-199-4
Molecular Formula: C₁₅H₂₄O
Molecular Weight: 220.35 g/mol
PubChem CID: 1752
InChIKey: IGFHQQFPSIBGKE-UHFFFAOYSA-N
Appearance: Colorless to pale yellow solid/viscous liquid; phenolic smell
State at 20 °C: Solid or viscous liquid depending on branching
Melting point: ~43–44 °C
Boiling point: ~293–297 °C
Density: ~0.937–0.94 g/mL at 20–25 °C
Vapor pressure: ~0.109 Pa at 25 °C
Solubility in water: Very low; nearly insoluble
Log P: High (~5.9), indicating hydrophobicity
SMILES: CCCCCCCCC1=CC=C(C=C1)O
pKa (estimated): ~10.1–10.2
Appearance/Odor: Phenolic/waxy/strong odor
Molecular Weight: 220.35 g/mol
XLogP3: 5.9
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 8
Exact Mass: 220.182715385 Da
Monoisotopic Mass: 220.182715385 Da
Topological Polar Surface Area: 20.2 Ų
Heavy Atom Count: 16
Formal Charge: 0
Complexity: 148
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
CAS: 84852-15-3
IUPAC Name: 4-(7-methyloctyl)phenol
Molecular Formula: C15H24O
InChI Key: JSFITYFUKSFPBZ-UHFFFAOYSA-N
SMILES: CC(C)CCCCCCC1=CC=C(O)C=C1
Molecular Weight (g/mol): 220.36
Synonym: 4-(7-methyloctyl)phenol
Water: =<0.05 %
Refractive index: 1.5105 to 1.5165 (20°C, 589 nm)
Appearance (Form): Clear viscous liquid
Color scale: =<50 APHA
Infrared spectrum: Conforms
GC: >=98.5 %
Other(deleted CASRN): 29832-11-9
ECHA EINECS - REACH Pre-Reg: 203-199-4
FDA UNII: I03GBV4WEL
Nikkaji Web: J45.974G
Beilstein Number: 2047450
XlogP3: 5.90 (est)
Molecular Weight: 220.35548000
Formula: C15 H24 O
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in: water, 7 mg/L @ 25 °C (exp)
Soluble in: water, 1.57 mg/L @ 25 °C (est)
Chemical formula: C15H24O
Molar mass: 220.356 g·mol−1
Appearance: White crystals
Density: 0.94
Melting point: 43 to 45 °C (109 to 113 °F; 316 to 318 K)
Boiling point: 180 to 181 °C (356 to 358 °F; 453 to 454 K)
Physical state: liquid
Color: yellow
Odor: phenol-like
Melting point/ range: < -7 °C (ca. 1.013,25 hPa)
Boiling point/boiling range: 302 °C (ca. 1.013 hPa)
Flammability: No data available
Upper explosion limit / Upper flammability limit: No data available
Lower explosion limit / Lower flammability limit: No data available
Flash point: > 113 °C
Method: closed cup
Autoignition temperature: 372 °C (1.013,25 hPa)
Method: ASTM E 659
Decomposition temperature: No data available
pH: No data available
Viscosity:
Viscosity, dynamic: ca. 2.320 mPa.s (20 °C)
Method: OECD Test Guideline 114
ca. 209 mPa.s (40,5 °C)
Method: OECD Test Guideline 114
Viscosity, kinematic: No data available
Flow time: No data available
Solubility(ies):
Water solubility: 0,0049 g/l slightly soluble
Partition coefficient: noctanol/water
log Pow: 5,4 (23 °C)
pH: 5,7
Method: OECD Test Guideline 117
Potential bioaccumulation:
Vapor pressure: 0,01 mbar (38 °C)
Method: ASTM D 2879-86
Relative density: No data available
Density: 0,937 g/cm3 (25 °C)
Method: lit.
Relative vapour density: No data available
Other information:
Explosives: Not classified as explosive.
Oxidizing properties: none
Burning rate: No data available
Self-ignition: 372 °C
ca. 1.013,25 hPa
Method: ASTM E-659
Evaporation rate: No data available
Surface tension: 38,9 mN/m, 20,1 °C, OECD Test Guideline 115, GLP: yes
Molecular weight: 220,35 g/mol
Molecular Formula / Molecular Weight: C15H24O = 220.36
Physical State (20 deg.C): Solid
Storage Temperature: Refrigerated (0-10°C)
Store Under Inert Gas: Store under inert gas
Condition to Avoid: Air Sensitive
CAS RN: 104-40-5
Reaxys Registry Number: 2047450
MDL Number: MFCD00002396
CBNumber: CB8719252
Molecular Formula: C15H24O
Molecular Weight: 220.35
MDL Number: MFCD00002396
MOL File: 104-40-5.mol
Melting point: 43-44°C
Boiling point: 293-297 °C
Density: 0.937 g/mL at 25 °C(lit.)
vapor pressure: 0.109Pa at 25℃
refractive index: n20/D 1.511(lit.)
Flash point: >230 °F
storage temp.: APPROX 20°C
solubility: Sparingly Soluble (0.020 g/L) at 25°C.
pka: 10.15±0.15(Predicted)
color: Clear colorless
Specific Gravity: ~1.057
Odor: Phenol like
PH Range: 6 - 8
Water Solubility: 6.35mg/L(25 ºC)
BRN: 2047450
Dielectric constant: 5.2000000000000002
Stability: Stable. Incompatible with strong oxidizing agents.
Major Application: agriculture, environmental
InChI: 1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
InChIKey: IGFHQQFPSIBGKE-UHFFFAOYSA-N
SMILES: CCCCCCCCCc1ccc(O)cc1
LogP: 5.76
CAS DataBase Reference: 104-40-5(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances: NONYLPHENOL, P-
FDA 21 CFR: 175.300
EWG's Food Scores: 2
FDA UNII: I03GBV4WEL
EPA Substance Registry System: p-Nonylphenol (104-40-5)
UNSPSC Code: 41116107
NACRES: NA.24
FIRST AID MEASURES of 4-NONYLPHENOL:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available
ACCIDENTAL RELEASE MEASURES of 4-NONYLPHENOL:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.
FIRE FIGHTING MEASURES of 4-NONYLPHENOL:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2)
Foam
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.
EXPOSURE CONTROLS/PERSONAL PROTECTION of 4-NONYLPHENOL:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A
-Control of environmental exposure:
Do not let product enter drains.
HANDLING and STORAGE of 4-NONYLPHENOL:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.
STABILITY and REACTIVITY of 4-NONYLPHENOL:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available
