3-TERT-BUTYL-4-HYDROXYANISOLE Chemical Properties

Melting point:

58-64 °C

Boiling point:

269℃

Density 

1.009

vapor pressure 

1.33 hPa (105 °C)

refractive index 

1.4708 (estimate)

Flash point:

110 °C

storage temp. 

Store below +30°C.

solubility 

ethanol: soluble1g/10 mL, clear, colorless to faint yellow or tan

form 

Powder/Waxy Solid

pka

11.83±0.18(Predicted)

color 

White to off-white

Water Solubility 

610-3400mg/L at 27-29℃

BRN 

1867499

LogP

1-2.82 at 25-27℃

CAS DataBase Reference

121-00-6(CAS DataBase Reference)

EPA Substance Registry System

Phenol, 2-(1,1-dimethylethyl)-4-methoxy- (121-00-6)

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

RIDADR 

3077

WGK Germany 

2

RTECS 

SK1575000

HS Code 

2909 50 00

HazardClass 

9

PackingGroup 

III

Hazardous Substances Data

121-00-6(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 880 mg/kg

MSDS

• Language:English Provider:SigmaAldrich

3-TERT-BUTYL-4-HYDROXYANISOLE Usage And Synthesis

Chemical Properties

3-tert-butyl-4-hydroxyanisole is a colorless (white) crystals. Insoluble in water, soluble in alcohol, soluble at 0.05% to 0.20% in most oils. Very faint phenolic type odor.

Uses

An antioxidant stabilizer of fats that has shown carcinogenicity at high doses

Uses

antioxidant in foods (beverages, gum, ice cream, fruits, cereals), cosmetics, topical medications, animal feeds, petroleum products, jet fuels, rubber, plastics, paints, glues.

Uses

3-tert-Butyl-4-hydroxyanisole may be used as a pharmaceutical reference standard for the determination of the analyte in plasma samples using high-resolution capillary gas chromatography-mass spectrometry with selective ion monitoring.

Application

3-tert-butyl-4-hydroxyanisole is used as an Antioxidant in foods, usually in combination with Propyl gallate and Citric acid for synergistic effect in Propylene glycol solution. Combinations with BHT (Butyl hydroxy toluene) are also used.

Preparation

from iso-Butylene and pura-Methoxyphenol.

Definition

ChEBI: 3-tert-butyl-4-hydroxyanisole is an aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group. It has a role as an antioxidant and a human xenobiotic metabolite. It is a member of phenols and an aromatic ether.

General Description

Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
3-tert-Butyl-4-hydroxyanisole is a synthetic antioxidant, widely used as a food additive to prevent oxidative deterioration of fats and oils.

Flammability and Explosibility

Non flammable

Purification Methods

Fractionally distil the phenol in vacuo, then pass it as a solution in CHCl3 through alumina, and evaporate the eluate. Recrystallise the residue from pet ether. [Beilstein 6 IV 6013.]

3-TERT-BUTYL-4-HYDROXYANISOLE(121-00-6)Related Product Information

• 2-TERT-BUTYL-4-HYDROXYANISOLE,2-TERT-BUTYL-4-HYDROXYANISOLE / 3-TERT-BUTYL-4-METHOXYPHENOL
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