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)

Flash point:

111 °C

storage temp. 

2-8°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

LogP

3.6 at 22℃

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)

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

• Language:English Provider:4-tert-Amylphenol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-tert-Amylphenol Usage And Synthesis

Chemical Properties

solid

Uses

Demulsifiers, Biocides, Fragrances

Uses

4-tert-Amylphenol was used as an esterogen receptor (ER) ligand.

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.

Definition

ChEBI: P-tert-Amylphenol is an alkylbenzene.

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.

Flammability and Explosibility

Flammable

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(80-46-6)Related Product Information

• Phenol Red
• Phenylpentane
• 4-Pentylphenol
• Ethylbenzene
• Phenol
• alpha-Amylcinnamaldehyde
• 4-Chlorophenol
• 4-tert-Butylphenol
• Octylphenol
• tert-Amylbenzene
• Acetonitrile
• Benzene
• TERT-AMYL METHYL ETHER
• Nonylphenol
• Methanol
• CHLOROPHOSPHONAZO III
• 4-Aminophenol
• Methylparaben