499-49-0

Basic information

• Product Name: 5-Methylisophthalic acid
• Synonyms: 5-METHYL-1,3-BENZENEDICARBOXYLIC ACID;5-METHYL-1,3-BENZOIC ACID;5-METHYLISOPHTHALIC ACID;5-METHYLBENZENE-1,3-DICARBOXYLIC ACID;RARECHEM AL BO 1540;TIMTEC-BB SBB008429;UVITIC ACID;5-Ethyl-1,3-BenzenedicarboxylicAcid
• CAS NO: 499-49-0
• Molecular Formula: C₉H₈O₄
• Molecular Weight: 180.16
• EINECS: 207-881-2
• Product Categories: Carboxylic Acids;Phenyls & Phenyl-Het;Organic acids;Carboxylic Acids;Phenyls & Phenyl-Het;C9;Carbonyl Compounds;Building Blocks;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 499-49-0.mol
• Article Data: 8

Chemical Properties

• Melting Point: 299-303 °C(lit.)
• Boiling Point: 408.7 °C at 760 mmHg
• Flash Point: 215.1 °C
• Appearance: white powder
• Density: 1.377 g/cm³
• Vapor Pressure: 2.06E-07mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 3.60±0.10(Predicted)
• CAS DataBase Reference: 5-Methylisophthalic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Methylisophthalic acid(499-49-0)
• EPA Substance Registry System: 5-Methylisophthalic acid(499-49-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• Hazardous Substances Data: 499-49-0(Hazardous Substances Data)

Usage

Chemical Properties

Solid

Uses

5-Methylisophthalic acid can be used in the synthesis of a La(III)–Co(II) heterometallic framework via reaction with lanthanum(III)chloride hydrate and cobalt(II)acetate under ionothermal conditions.

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

Upstream product

• 108-67-8 1,3,5-trimethyl-benzene 
• 56-23-5 tetrachloromethane 
• 7732-18-5 water 
• 127-17-3 2-oxo-propionic acid 
• 499-06-9 3,5-dimethylbenzoic acid 
• 7664-93-9 sulfuric acid 
• 56-89-3 L-cystine 
• 108-88-3 toluene 
• 6303-93-1 5-methyl-cyclohexa-1,3-diene-1,3,5-tricarboxylic acid 
• 16695-81-1 1-(3,5-dimethyl-phenyl)-2-methyl-propene 
• 52033-93-9 1-methyl-3,5-dipropyl-benzene 
• 7697-37-2 nitric acid 
• 934-74-7 1-ethyl-3,5-dimethylbenzene 
• 3055-14-9 1-methyl-3,5-diisopropyl benzene 

Downstream Products

• 58498-26-3 trans-5-Methyl-cis-cyclohexandicarbonsaeure-(1.3) 
• 1198077-38-1 [Zn(5-Me-isophthalate)(1,2-di(4-pyridyl)ethane)] 
• 1612264-49-9 [Zn(1,1'-(1,3-propane)bis-(2-methylbenzimidazole))(5-methylisophthalic acid-H₂)]_n 

Relevant articles and documents

Surveying Iron-Organic Framework TAL-1-Derived Materials in Ligandless Heterogeneous Oxidative Catalytic Transformations of Alkylarenes

The use of carbonized materials derived from metal-organic frameworks (MOFs) in catalytic organic transformations is less well explored than is the use of MOFs. Here, we survey the oxidative performance of heterogeneous catalyst materials derived from the polycrystalline iron-organic framework TAL-1.

Aerobic oxidation of trimethylbenzenes catalyzed by N,N′,N″-trihydroxyisocyanuric acid (THICA) as a key catalyst

The oxidation of trimethylbenzenes was examined with air or O2 using N,N′,N″-trihydroxyisocyanuric acid (THICA) as a key catalyst. Thus, 1,2,3-, 1,2,4-, and 1,3,5-trimethylbenzenes under air (20 atm) in the presence of THICA (5 mol %), Co(OAc)2 (0.5 mol %), Mn(OAc)2, and ZrO(OAc)2 at 150 °C were oxidized to the corresponding benzenetricarboxylic acids in good yields (81-97%). In the aerobic oxidation of 1,2,4-trimethylbenzene by the THICA/Co(II)/Mn(II) system, remarkable acceleration was observed by adding a very small amount of ZrO(OAc)2 to the reaction system to form 1,2,4-benzenetricarboxylic acid in excellent yield (97%). In contrast, no considerable addition effect was observed in the oxidation of 1,3,5-trimethylbenzene. This aerobic oxidation by the present catalytic system provides an economical and environmentally benign direct method to benzenetricarboxylic acids, which are very important polymer materials.