4-nonyl phenol
 
Notes:
Environmental pollutant arising from the degradation of nonionic surfactants in sewage Nonoxynol-9, one of the APEs, is used as a surfactant in cleaning and cosmetic products, and as a spermicide in contraceptives.; Nonylphenol is an organic compound of the wider family of alkylphenols. It 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.; Nonylphenol, and a related compound tert-octylphenol, were first detected as an air pollutant in New York City and New Jersey, probably due to its evaporation from the Hudson river and other smaller rivers in the region that routinely receive municipal wastewaters. It is possible that the atmosphere is a destructive sink for nonylphenol as it is probably reactive with atmospheric radicals and/or is photoactive.
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CAS Number: 104-40-5Picture of molecule3D/inchi
Other: 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
NMR Predictor: Predict (works with chrome or firefox)
Category: indirect food additives: adhesives and components of coatings
 
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FDA Mainterm (IAUFC):104-40-5 ; NONYLPHENOL, P-
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 7 mg/L @ 25 °C (exp)
 water, 1.57 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: indirect food additives: adhesives and components of coatings
Recommendation for 4-nonyl phenol usage levels up to:
 not for fragrance use.
 
Recommendation for 4-nonyl phenol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System: Search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 104-40-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 1752
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 4-nonylphenol
Chemidplus: 0000104405
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References:
 4-nonylphenol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 104-40-5
Pubchem (cid): 1752
Pubchem (cas): 104-40-5
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Indirect Additives used in Food Contact Substances:View
CHEBI: View
CHEMBL: View
UM BBD: Search
KEGG (GenomeNet): C14550
HMDB (The Human Metabolome Database): HMDB38982
FooDB: FDB018468
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
4-nonylphenol
p-nonylphenol
 phenol, 4-nonyl-
 phenol, p-nonyl-
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