4-tert-Octylphenol

4-tert-Octylphenol Basic information
Product Name:4-tert-Octylphenol
Synonyms:4-TERT-OCTYLPHENOL;4-(DI-ISO-BUTYL) PHENOL;P-TERT-OCTYLPHENOL;P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL;P-(1,1,3,3-TETRAMETHYL-N-BUTYL)PHENOL;4-TERT-OCTYLPHENOL, 500MG,NEAT;paraTertiary Octyl Phenol;Iso-OctylPhenoxyPolyethoxyEthanol(TritonX-100)
CAS:140-66-9
MF:C14H22O
MW:206.32
EINECS:205-426-2
Product Categories:Industrial/Fine Chemicals;Alkylphenols (Environmental Endocrine Disruptors);Analytical Chemistry;Color Former & Related Compounds;Developer;Environmental Endocrine Disruptors;Functional Materials;Aromatics;Mutagenesis Research Chemicals;bc0001
Mol File:140-66-9.mol
4-tert-Octylphenol Structure
4-tert-Octylphenol Chemical Properties
Melting point 79-82 °C(lit.)
Boiling point 175 °C30 mm Hg(lit.)
density 0.95 g/cm3 (20℃)
vapor pressure 2Pa at 38℃
refractive index 1.5003 (estimate)
Fp 145 °C
storage temp. -20°C
solubility water: slightly soluble0.007g/L at 20°C
form neat
pka10.15±0.15(Predicted)
color White flakes
PH Range6 at 10 g/l at 20 °C
Water Solubility 7mg/L at 20℃
BRN 513992
Stability:Stable. Incompatible with strong oxidizing agents, strong bases.
LogP4.8 at 22℃
CAS DataBase Reference140-66-9(CAS DataBase Reference)
NIST Chemistry ReferencePhenol, 4-(1,1,3,3-tetramethylbutyl)-(140-66-9)
EPA Substance Registry Systemp-(1,1,3,3-Tetramethylbutyl)phenol (140-66-9)
Safety Information
Hazard Codes Xn,N,Xi,F
Risk Statements 21-38-41-50/53-67-66-36-11-52/53-68-62-40
Safety Statements 26-36-61-60-39-16-9
RIDADR 2430
WGK Germany 2
RTECS SM9625000
HazardClass 8
PackingGroup III
HS Code 29071300
Hazardous Substances Data140-66-9(Hazardous Substances Data)
MSDS Information
ProviderLanguage
4-(1,1,3,3-Tetramethylbutyl)phenol English
SigmaAldrich English
4-tert-Octylphenol Usage And Synthesis
Chemical Propertieswhite powder
Uses4-tert-Octylphenol (4t-OP) is used in manufacturing processes as an intermediate in the generation of surfactants, synthetic rubber additives, or resins. 4t-OP is also used to manufacture alkylphenol ethoxylates. It is found mainly in detergents, cleaning products, and emulsifiers and less frequently in paints, personal care products, pesticides, paper, pulp, and textiles.
DefinitionChEBI: 4-tert-Octylphenol is an alkylbenzene.
General Description4-tert-Octylphenol is a potential environmental pollutant and it exhibits toxic and estrogenic effects on mammalian cells. It binds to estrogen receptors and exerts estrogenic actions in vitro. The transformation of the 4-tert-octylphenol upon irradiation at 253.7nm and by hydroxyl radicals generated by the photolysis (λexc = 253.7nm) of hydrogen peroxide in aqueous solution has been studied.
Health effects4-tert-octylphenol (OP) is an endocrine-disrupting chemical that causes harmful effects to human health.a common environmental pollutant showing weak estrogenic effects. 4-tert-Octylphenol has been shown to cause harm to the male reproductive system of vertebrates.
High doses of several alkylphenols, including 4- tert-octylphenol, have altered estrogenic effects, including sex hormone levels, estrus cycles, reproductive outcomes, neonatal sexual development, as well as impaired production of steroid hormone and testicular atrophy.
Environmental FateStudies have shown that 4t-OP will adsorb to sediments.
Purification MethodsCrystallise the phenol from n-hexane and/or distil it in a vacuum. [Beilstein 6 III 2051, 6 IV 3484.]
Toxicity evaluation4t-OP has been shown to be an estrogen receptor (ER) agonist. Estrogenic effects of 4t-OP have been demonstrated in human cells, with 4t-OP displacing the natural estrogen 17b estradiol from its receptor, and 4t-OP inducing cell proliferation in estrogen-dependent cell proliferation assays. In vivo confirmation of 4t-OP’s estrogenicity has been confirmed with the uterotrophic assay.
Polyoxyethylene octylphenol ether 5,5',6,6'-TETRAHYDROXY-3,3,3',3'-TETRAMETHYL-1,1'-SPIROBISINDANE POE (3) TERT-OCTYLPHENOL,POE (3) TERT-OCTYLPHENOL BIS[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL] PHOSPHATE CALCIUM SALT 4-OCTYLPHENOL-MONO-ETHOXYLATE (2,2'-THIOBIS(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL)ATO(2,1))-(BUTYLAMINE) NICKEL Recombinant Human Telomerase 4-TERT-OCTYLCATECHOL benzyldimethyl[2-[2-[4-(1,1,3,3-tetramethylbutyl)tolyloxy]ethoxy]ethyl]ammonium hydroxide 5-tert-octylsalicylicacid Octafonium chloride 4,5-Di-tert-butyl-3-octylphenol 4,6-Di-tert-butyl-3-octylphenol 3,5-Di-tert-butyl-2-octylphenol 2-(2-HYDROXY-5-TERT-OCTYLPHENYL)BENZOTRIAZOLE 2,6-DINITRO-4-TERT-OCTYLPHENOL,2,6-DINITRO-4-TERT-OCTYLPHENOL 2,2'-SULFONYLBIS(4-TERT-OCTYLPHENOL),2,2'-SULFONYLBIS(4-TERT-OCTYLPHENOL),2,2'-SULFONYLBIS(4-TERT-OCTYLPHENOL) 4-OCTYLPHENOL DIETHOXYLATE

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