3,5-Di-Tert-Butylphenol

CAS

1138-52-9

Catalog Number

ACM1138529

Category

Inhibitors

Molecular Weight

206.32

Molecular Formula

C14H22O

MSDS COA Spec Sheet

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Specification

Description

3,5-Di-tert-butylphenol is an volatile organic compound with anti-biofilm and antifungal activities. 3,5-Di-tert-butylphenol induces accumulation of reactive oxygen species (ROS).

Synonyms

3,5-ditert-butylphenol

IUPAC Name

3,5-Di-tert-butylphenol

Canonical SMILES

OC1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1

Boiling Point

276.7ºC at 760mmHg

Melting Point

87-89°C(lit.)

Flash Point

127.2ºC

Density

0.932g/cm³

Appearance

off-white crystals or powder

Storage

4°C, stored under nitrogen*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen).

Complexity

184

Defined Atom Stereocenter Count

Exact Mass

206.1670

Formal Charge

Hazard Statements

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

206.1670

Packing Group

III

Rotatable Bond Count

Safety Description

26-36/37/39-45

Shipping

Can be shipped at room temperature, where not in use may vary.

Source

Endophytic Burkholderia cenocepacia

Stability

Stable. Incompatible with bases, acid chlorides, acid anhydrides, oxidizing agents, brass, steel, copper, copper alloys.

Topological Polar Surface Area

20.2 Å²

XLogP3-AA

4.9

August 14, 2023

Useful synthetic intermediates
The phenolic hydroxyl structure of 3,5-di-tert-butylphenol can be combined with various groups, and it is a useful organic intermediate.

What kind of compound is 3,5-di-tert-butylphenol?

3,5-Di-tert-butylphenol is an organic compound, which belongs to phenolic derivatives. Its molecule contains two tert-butyl substituted benzene rings and one hydroxyl group.

What is the molecular formula of 3,5-di-tert-butylphenol?

The molecular formula of 3,5-di-tert-butylphenol is C14H22O.

What is the molecular weight of 3,5-di-tert-butylphenol?

The molecular weight of 3,5-di-tert-butylphenol is 206.32 g/mol.

What is the melting point of 3,5-di-tert-butylphenol?

The melting point of 3,5-di-tert-butylphenol is 87-89 ℃.

What is the boiling point of 3,5-di-tert-butylphenol?

The boiling point of 3,5-di-tert-butylphenol is 265 ℃.

In what solvent does 3,5-di-tert-butylphenol have good solubility?

3,5-Di-tert-butylphenol is insoluble in water, slightly soluble in ethanol and soluble in chloroform and toluene.

What are the security risks of 3,5-di-tert-butylphenol?

3,5-Di-tert-butylphenol is irritating and corrosive. If it comes into contact with skin, eyes or respiratory tract, it may cause burns, allergies or dyspnea.

What are the precautions of 3,5-di-tert-butylphenol?

When using 3,5-di-tert-butylphenol, you should wear appropriate protective equipment to avoid direct contact and store it in a dry and ventilated place.

What are the uses and functions of 3,5-di-tert-butylphenol?

3,5-Di-tert-butylphenol can be used as an antioxidant to prevent the aging and deterioration of rubber, plastic, grease and other materials.

What is the character of 3,5-di-tert-butylphenol?

3,5-Di-tert-butylphenol is white or white-like crystal or powder.