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4-tert-Amylphenol

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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
  • Phenols
  • Industrial/Fine Chemicals
  • A-AM
  • Bioactive Small Molecules
  • Building Blocks
  • C9 to C20+
  • Cell Biology
  • Chemical Synthesis
  • Organic Building Blocks
  • Oxygen Compounds
Mol File:
80-46-6.mol
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4-tert-Amylphenol Chemical Properties

Melting point:
88-89 °C(lit.)
Boiling point:
255 °C(lit.)
Density 
0,96 g/cm3
refractive index 
1.5061 (estimate)
Flash point:
111 °C
solubility 
H2O: insoluble
pka
10.24±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.
InChIKey
NRZWYNLTFLDQQX-UHFFFAOYSA-N
CAS DataBase Reference
80-46-6(CAS DataBase Reference)
NIST Chemistry Reference
Phenol, 4-(1,1-dimethylpropyl)-(80-46-6)
EPA Substance Registry System
p-tert-Amylphenol (80-46-6)
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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 Data
80-46-6(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 3.08 g/kg (Smyth)

MSDS

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4-tert-Amylphenol Usage And Synthesis

Chemical Properties

solid

Uses

In 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.

Uses

Demulsifiers, Biocides, Fragrances

General Description

Colorless needles or beige solid.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Phenols, 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 Hazard

ACUTE/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 Hazard

4-tert-Amylphenol is combustible.

Safety Profile

Moderately 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 Methods

Purify 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.]

4-tert-Amylphenol Preparation Products And Raw materials

Raw materials

4-tert-AmylphenolSupplier

Alfa Aesar Gold
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Wuhan Hongde Yuexin Pharmaceutical Technology Co., Lt Gold
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Shanghai Kangtuo Chemical Co., Ltd. Gold
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021-69185553;021-69185552
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Wuhan Qiaofeng Chemical Technology Co., Ltd. Gold
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J & K SCIENTIFIC LTD.
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010-82848833- ;010-82848833-
Email
jkinfo@jkchemical.com;market6@jkchemical.com