3,5-bis(tert-butyl)benzoic acid

3,5-bis(tert-butyl)benzoic acid - Names and Identifiers

Name	3,5-di-tert-butylbenzoic acid
Synonyms	Dibutylbenzoicacid RARECHEM AL BE 0560 5-DI-TERT-BUTYLBENZOIC ACID 3,5-DI-TERT-BUTYLBENZOIC ACID 3,5-di-tert-butylbenzoic acid 3,5-bis(tert-butyl)benzoic acid BENZOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-
CAS	16225-26-6
EINECS	240-350-3
InChI	InChI=1/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)

3,5-bis(tert-butyl)benzoic acid - Physico-chemical Properties

Molecular Formula	C15H22O2
Molar Mass	234.33
Density	0.9725 (estimate)
Melting Point	173-175°C(lit.)
Boling Point	361.43°C (estimate)
Flash Point	155.1°C
Water Solubility	Insoluble in water.
Vapor Presure	0.000199mmHg at 25°C
Appearance	Crystallization
Color	White to off-white
BRN	981248
pKa	4.40±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.5283 (estimate)
MDL	MFCD00082727

3,5-bis(tert-butyl)benzoic acid - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	36 - Wear suitable protective clothing.
WGK Germany	3
HS Code	29163990

3,5-bis(tert-butyl)benzoic acid - Introduction

3,5-di-tert-butylbenzoic acid(3,5-di-tert-butylbenzoic acid) is an organic compound. Its molecular formula is C14H22O2, structural formula is (CH3)3C-C6H3-COOH.

3,5-di-tert-butyl benzoic acid is a colorless crystal with a special aromatic odor. It is insoluble in water, but soluble in alcohols, ethers and organic solvents. It is stable at room temperature and has good heat resistance and light resistance.

This compound is often used as an intermediate in organic synthesis. It can be used in the preparation of sunscreens, dyes, polymers and lubricants, etc. In addition, 3,5-di-tert-butylbenzoic acid can also be used as a ligand for synthetic catalysts with certain catalytic activity.

The method of preparing 3,5-di-tert-butyl benzoic acid is usually obtained by reacting benzoic acid with tert-butyl ester. The specific procedure consists of reacting benzoic acid with tert-butylmagnesium bromide to produce tert-butylbenzoic acid, followed by acidification to give 3,5-di-tert-butylbenzoic acid.

Regarding safety information, 3,5-di-tert-butyl benzoic acid is a general chemical. During use, care should be taken to avoid contact with skin, eyes and respiratory tract. Avoid inhaling its dust or solution. Wear protective gloves, goggles and respirators during operation. In case of accidental contact or inhalation, rinse immediately with water and seek medical help. In addition, it should be stored in a dry, ventilated place, away from fire and oxidizing agents.

Last Update：2024-04-10 22:29:15