619-04-5

Basic information

• Product Name: 3,4-Dimethylbenzoic acid
• Synonyms: RARECHEM AL BO 0330;O-XYLENE-4-CARBOXYLIC ACID;1-Carboxy-3,4-dimethylbenzene;3,4-dimethyl-benzoicaci;3,4-DIMETHYLBENZOIC ACID;AKOS BBS-00007820;ASYM-O-XYLYLIC ACID;Benzoic acid, 3,4-dimethyl- (7CI,8CI,9CI)
• CAS NO: 619-04-5
• Molecular Formula: C₉H₁₀O₂
• Molecular Weight: 150.17
• EINECS: 210-576-7
• Product Categories: CARBOXYLICACID;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzenes;Acids & Esters
• Mol File: 619-04-5.mol
• Article Data: 30

Chemical Properties

• Melting Point: 163-165 °C(lit.)
• Boiling Point: 271.51°C (estimate)
• Flash Point: 134.9 °C
• Appearance: White to beige/Crystalline Powder
• Density: 1.0937 (estimate)
• Vapor Pressure: 0.000728mmHg at 25°C
• Refractive Index: 1.5188 (estimate)
• Storage Temp.: Store below +30°C.
• PKA: 4.44±0.10(Predicted)
• Water Solubility: 129.2mg/L(temperature not stated)
• BRN: 907267
• CAS DataBase Reference: 3,4-Dimethylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Dimethylbenzoic acid(619-04-5)
• EPA Substance Registry System: 3,4-Dimethylbenzoic acid(619-04-5)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 22-24/25-37/39-26
• WGK Germany: 3
• RTECS: DG8734020
• TSCA: Yes
• Hazardous Substances Data: 619-04-5(Hazardous Substances Data)

Usage

Description

3,4-Dimethylbenzoic acid, also known as dimethylbenzoic acid, is an organic compound belonging to the class of benzoic acids. It is characterized by the presence of two methyl groups at positions 3 and 4 on the benzene ring. This white to beige crystalline powder exhibits unique chemical properties that make it suitable for various applications across different industries.

Uses

Used in Pharmaceutical Industry:
3,4-Dimethylbenzoic acid is used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows it to be a key component in the development of new drugs, particularly those targeting specific diseases or conditions.
Used in Chemical Synthesis:
In the chemical industry, 3,4-Dimethylbenzoic acid serves as a versatile building block for the synthesis of a wide range of organic compounds. Its reactivity and structural properties make it an ideal candidate for the production of various chemicals, including dyes, pigments, and additives.
Used in Flavor and Fragrance Industry:
3,4-Dimethylbenzoic acid is used as a component in the creation of various flavors and fragrances. Its unique chemical structure contributes to the development of distinct scents and tastes, making it a valuable asset in the formulation of perfumes, cosmetics, and other consumer products.
Used in Material Science:
3,4-Dimethylbenzoic acid can be utilized in the development of advanced materials, such as polymers and coatings, due to its chemical properties. Its incorporation into these materials can enhance their performance, durability, and other desirable characteristics.

Purification Methods

Crystallise it from EtOH or H2O (m 168-168.5o), and sublime it in vacuo. The phenyl ester has m 68o (from EtOH or pet ether) and b 155-157o/2mm. [Beilstein 9 II 353, 9 III 2441, 9 IV 1803.]

InChI:InChI=1/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)

Upstream product

• 56-23-5 tetrachloromethane 
• 6578-78-5 1,1-bis(3,4-dimethylphenyl)ethylene 
• 79-37-8 oxalyl dichloride 
• 95-47-6 o-xylene 
• 463-72-9 carbamic chloride 
• 95-63-6 1,2,4-Trimethylbenzene 
• 934-80-5 1,2-dimethyl-4-ethylbenzene 
• 27831-13-6 3,4-dimethylstyrene 
• 3982-66-9 1,2-dimethyl-4-propyl-benzene 
• 51036-98-7 3-(3,4-dimethylbenzoyl)propionic acid 
• 873979-12-5 2,2,2-trichloro-1-(3,4-dimethyl-phenyl)-ethanone 
• 40207-05-4 3-(chloromethyl)-4-methylbenzoic acid 
• 871896-99-0 δ-oxy-δ-(3.4-dimethyl-phenyl)-α-amylene 
• 141-53-7 sodium formate 

Downstream Products

• 3637-01-2 3,4-dimethylacetophenone 
• 95-47-6 o-xylene 
• 5156-01-4 2-methylterephthalic acid 
• 681448-23-7 3,4-dimethyl-cyclohexanecarboxylic acid 
• 95-64-7 4-amino-o-xylene 
• 16155-55-8 2-(3,4-dimethylphenyl)benzo[d]oxazole 
• 89075-57-0 2-(3,4-Dimethyl-phenyl)-3H-imidazo[4,5-c]pyridine 
• 38404-42-1 methyl 3,4-dimethylbenzoate 
• 120743-86-4 3-methyl-4-<(trimethylsilyl)methyl>benzoic acid 
• 33499-44-4 ethyl 3,4-dimethylbenzoate 
• 82955-74-6 3,4-Dimethyl-benzoic acid 6-carbamimidoyl-naphthalen-2-yl ester; compound with methanesulfonic acid 
• 4315-14-4 4,5-Dimethyl-2-nitrobenzoesaeure 
• 4315-13-3 3,4-Dimethyl-2-nitrobenzoesaeure 
• 74319-96-3 3,4-Dimethyl-5-nitrobenzoesaeure 

Relevant articles and documents

Diels-Alder reactions with 1,1-diethoxybut-3-yn-2-one and some 1,1-diethoxy-5-hydroxyalk-3-yn-2-ones and their acetates

The title compounds were reacted with a few conjugated dienes at room temperature and above. The alcohols were unreactive, but the other ynones reacted at a reasonable rate. Conceivably, the expected cyclohexa-1,4-diene adducts were formed, but they were unstable and aromatized to the corresponding benzene derivatives, which were isolated in low to excellent yield.

Visible-Light-Mediated Hydroxycarbonylation of Diazonium Salts

A visible light-promoted catalytic photoredox hydroxycarbonylation was achieved on aryl diazonium salts whether preformed or generated in situ from the corresponding anilines. This strategy allows a straightforward access to a variety of carboxylic acids under mild conditions. (Figure presented.).

A method of preparing 1,2,4,5-benzenetetracarboxylic acid or trimellitic acid from pinacol

The invention relates to a method of preparing 1,2,4,5-benzenetetracarboxylic acid or trimellitic acid from pinacol. The method includes a first step of selectively dehydrating the pinacol in an acid/ionic liquid catalytic system to generate 2,-3-dimethyl-1,3-butadiene; a second step of subjecting the 2,-3-dimethyl-1,3-butadiene and maleate or acrylate to a D-A cycloaddition/dehydrogenation tandemreaction to generate an aromatic ring product; and a third step of subjecting the aromatic ring product to hydrolysis and oxidation to prepare the 1,2,4,5-benzenetetracarboxylic acid or the trimellitic acid. The catalytic system adopted in the method is green, and can be recycled. The raw material is a biomass-based platform chemical, and is cheap and easily available. All reaction processes aresimple. The pinacol dehydration reaction, the dehydrogenation reaction of a D-A product and an oxidation reaction are high in activity and selectivity. The novel method for preparing the 1,2,4,5-benzenetetracarboxylic acid and the trimellitic acid which are fine chemicals from the pinacol that is a lignocelluloses based platform chemical is provided by the invention.