4-tert-Amylphenol

4-tert-Amylphenol Basic information
Product Name:4-tert-Amylphenol
Synonyms:PARA-PENTYLPHENOLISOMERS;4-TERT-PENTYLPHENOL 99%;4-TERT.-AMYLPHENOL 99%;4-tert-AMylphenol, 99% 100GR;4-tert-Amylphenol,99%;4-(1,1-Dimethylpropyl)phenol 4-tert-Pentylphenol;4-(2-Methyl-2-butyl)-phenol;4-t-Amylphenol
CAS:80-46-6
MF:C11H16O
MW:164.24
EINECS:201-280-9
Product Categories:Alcohol& Phenol& Ethers;Alkylphenols (Environmental Endocrine Disruptors);Analytical Chemistry;Environmental Endocrine Disruptors;Organic Building Blocks;Oxygen Compounds;Industrial/Fine Chemicals;Phenols;A-AM;Bioactive Small Molecules;Building Blocks;C9 to C20+;Cell Biology;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;80-46-6;bc0001
Mol File:80-46-6.mol
4-tert-Amylphenol Structure
4-tert-Amylphenol Chemical Properties
Melting point 88-89 °C (lit.)
Boiling point 255 °C (lit.)
density 0,96 g/cm3
vapor pressure 5Pa at 20℃
refractive index 1.5061 (estimate)
Fp 111 °C
storage temp. 2-8°C
solubility H2O: insoluble
pka10.24±0.26(Predicted)
form Briquettes or Flakes To Coarse Powder
color White to pale yellow
Water Solubility 37 mg/L (20 ºC)
Merck 14,7142
Stability:Stable. Incompatible with acid chlorides, acid anhydrides, strong oxidizing agents.
InChIKeyNRZWYNLTFLDQQX-UHFFFAOYSA-N
LogP3.6 at 22℃
CAS DataBase Reference80-46-6(CAS DataBase Reference)
NIST Chemistry ReferencePhenol, 4-(1,1-dimethylpropyl)-(80-46-6)
EPA Substance Registry Systemp-tert-Amylphenol (80-46-6)
Safety Information
Hazard Codes C,N
Risk Statements 21/22-34-51/53-43
Safety Statements 26-27-36/37/39-45-61
RIDADR UN 2430 8/PG 2
WGK Germany 2
RTECS SM6825000
TSCA Yes
HazardClass 8
PackingGroup III
HS Code 29071990
Hazardous Substances Data80-46-6(Hazardous Substances Data)
ToxicityLD50 orally in rats: 3.08 g/kg (Smyth)
MSDS Information
ProviderLanguage
4-tert-Amylphenol English
SigmaAldrich English
ACROS English
ALFA English
4-tert-Amylphenol Usage And Synthesis
Chemical Propertiessolid
UsesIn the manufacture of oil-soluble resins; has been recommended as a germicide and fumigant; intermediate for organic mercury germicides, for pesticides, for chemicals used in rubber and petroleum industries.
UsesDemulsifiers, Biocides, Fragrances
Uses4-tert-Amylphenol was used as an esterogen receptor (ER) ligand.
DefinitionChEBI: P-tert-Amylphenol is an alkylbenzene.
General DescriptionColorless needles or beige solid.
Air & Water ReactionsInsoluble in water.
Reactivity ProfilePhenols, such as 4-tert-Amylphenol, do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has Ka = 1.3 x 10^[-10]). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Nitrated phenols often explode when heated. Many of them form metal salts that tend toward detonation by rather mild shock. 4-tert-Amylphenol can react with oxidizing materials.
Health HazardACUTE/CHRONIC HAZARDS: 4-tert-Amylphenol is toxic by ingestion and can be absorbed through the skin. Hazardous fumes are evolved when 4-tert-Amylphenol is heated to decomposition.
Fire Hazard4-tert-Amylphenol is combustible.
Flammability and ExplosibilityFlammable
Safety ProfileModerately toxic by ingestion andskin contact. A skin and severe eye irritant. Combustible.When heated to decomposition it emits toxic fumes. Tofight fire, use dry chemical, water mist, CO2. Incompatiblewith oxidizing materials.
Purification MethodsPurify via its benzoate, as for phenol. After evaporating the solvent from its solution in ether, the material is recrystallised (from the melt) to a constant melting point. The benzoyl derivative has m 60o (from EtOH). [Berliner et al. J Am Chem Soc 76 507 1954, Huston et al. J Am Chem Soc 67 899 1945, Beilstein 6 H 548, 6 I 269, 6 II 506, 6 III 1965, 6 IV 3383.]
tert-Amylbenzene Methyl 4-tert-Butylphenol alpha-Amylcinnamaldehyde Nonylphenol Recombinant Human Telomerase 2-Chlorophenyl cyclopentyl ketone Phenol Red 4-Pentylphenol Phenol Ethylbenzene Octylphenol Benzene Methanol TERT-AMYL METHYL ETHER CHLOROPHOSPHONAZO III Phenylpentane 4-Chlorophenol

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