4316-23-8

Basic information

• Product Name: 4-Methylphthalic acid
• Synonyms: RARECHEM AL BO 0981;4MPA;4-METHYLPHTALIC ACID;4-METHYLPHTHALIC ACID;4-METHYL-1,2-BENZENEDICARBOXYLIC ACID;2-Benzenedicarboxylicacid,4-methyl-1;4-methyl-2-benzenedicarboxylicacid;Phthalic acid, 4-methyl-
• CAS NO: 4316-23-8
• Molecular Formula: C₉H₈O₄
• Molecular Weight: 180.16
• EINECS: 224-333-8
• Product Categories: Phthalic Acids, Esters and Derivatives;Carboxylic Acid Monomers;Monomers;Polymer Science
• Mol File: 4316-23-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 146-148 °C(lit.)
• Boiling Point: 232.96°C (rough estimate)
• Flash Point: 204.4 °C
• Appearance: white powder.
• Density: 1.1987 (rough estimate)
• Vapor Pressure: 8.24E-07mmHg at 25°C
• Refractive Index: 1.4209 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.32±0.10(Predicted)
• Water Solubility: 3.984g/L(room temperature)
• CAS DataBase Reference: 4-Methylphthalic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methylphthalic acid(4316-23-8)
• EPA Substance Registry System: 4-Methylphthalic acid(4316-23-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 4316-23-8(Hazardous Substances Data)

Usage

Chemical Properties

BEIGE CRYSTALLINE POWDER

InChI:InChI=1/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)/p-2

Upstream product

• 127510-94-5 2-cyano-5-methyl-benzoic acid methyl ester 
• 582-16-1 2,7-dimethylnaphthalene 
• 64-19-7 acetic acid 
• 581-42-0 2.6-dimethylnaphthalene 
• 141-78-6 ethyl acetate 
• 7277-36-3 6-acetoxy-4,6-dimethyl-cyclohexa-2,4-dienone 
• 762-21-0 acetylenedicarboxylic acid diethyl ester 
• 7218-22-6 6-acetoxy-3,6-dimethyl-cyclohexa-2,4-dienone 
• 91-57-6 2-Methylnaphthalene 
• 13732-80-4 1-methyl-3,4-diethylbenzene 
• 7697-37-2 nitric acid 
• 861072-25-5 6-methyl-2-m-tolyl-naphthalene-1,3-diyldiamine 
• 7664-93-9 sulfuric acid 
• 2305-36-4 4-methylanthranilic acid 

Downstream Products

• 19438-61-0 4-methylphthalic anhydride 
• 90534-49-9 1,2-bishydroxymethyl-4-methylbenzene 
• 20116-65-8 dimethyl 4-methylphthalate 
• 54120-64-8 5-methylphthalide 
• 72985-23-0 6-methylisobenzofuran-1(3H)-one 
• 40314-06-5 5-methyl-1H-isoindole-1,3-(2H)-dione 

Relevant articles and documents

Unusual Effects of Acetate Ion on Photosensitized Oxygenation of Naphthalene Derivatives via Electron Transfer

The oxygenation of 2-methylnaphthalene photosensitized by 9,10-dicyanoanthracene in an O2-saturated acetonitrile gave phthalic acid and 4-methylphthalic acid in the presence of Et4NOAc or KOAc/18-crown-6, but different products in the presence of Et4NBF4 and KClO4 and without a salt.The photosensitized ring oxygenation also occured with naphthalene and 2,3-dimethylnaphthalene.

Dehydro-aromatization of cyclohexene-carboxylic acids by sulfuric acid: Critical route for bio-based terephthalic acid synthesis

A novel dehydro-aromatization reaction under mild reaction conditions was successfully developed using sulfuric acid as a cost-effective and efficient oxidant. This reaction simplified the synthesis of terephthalic acid (TA, an important aromatic monomer precursor) from biomass-derived isoprene and acrylic acid.

Oxidation of alkylaromatic hydrocarbons over V2O5-Sb2O3/TiO2 catalyst

Monoalkylbenzenes, polymethylbenzenes, para-substituted toluenes and monomethylnaphthalenes were oxidized in the vapor phase by oxygen-containing gas in the presence of water over a Sb2O3-promoted V2O5/TiO2 catalyst. This type of catalyst yields carboxylic acids with high selectivity. In the oxidation of substituted alkylbenzenes only alkyl groups were oxidized. No products of oxidative dimerization were detected. Only in the oxidation of methylnaphthalenes, also products of aromatic ring oxidation are formed. A correlation between experimental data and results of quantum-chemical calculations of bond dissociation energies is discussed.