3-Methylphthalic acid

Base Information

Chemical Name:3-Methylphthalic acid
CAS No.:37102-74-2
Molecular Formula:C9H8O4
Molecular Weight:180.16
Hs Code.:2917399090
DSSTox Substance ID:DTXSID80958272
Nikkaji Number:J136.386G
Wikidata:Q72495498
ChEMBL ID:CHEMBL569257
Mol file:37102-74-2.mol

Synonyms:3-methyl-1,2-benzenedicarboxylic acid;3-methylphthalate

Suppliers and Price of 3-Methylphthalic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-MethylphthalicAcid
1g
$ 220.00

ChemScene
3-Methylphthalicacid ≥97.0%
1g
$ 113.00

ChemScene
3-Methylphthalicacid ≥97.0%
250mg
$ 46.00

ChemScene
3-Methylphthalicacid ≥97.0%
5g
$ 343.00

ChemScene
3-Methylphthalicacid ≥97.0%
10g
$ 560.00

ChemScene
3-Methylphthalicacid ≥97.0%
100mg
$ 31.00

Chemenu
3-methylphthalicacid 95%
5g
$ 617.00

Chemenu
3-methylphthalicacid 95%
1g
$ 206.00

Ambeed
3-Methylphthalicacid 95%
250mg
$ 45.00

Ambeed
3-Methylphthalicacid 95%
100mg
$ 31.00

Total 13 raw suppliers

Chemical Property of 3-Methylphthalic acid

Chemical Property:

Vapor Pressure:2.55E-06mmHg at 25°C
Melting Point:157-158℃
Boiling Point:375.9°Cat760mmHg
Flash Point:195.3°C
PSA：80.26000
Density:1.377g/cm³
LogP:-1.27800
Storage Temp.:2-8°C
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:180.04225873
Heavy Atom Count:13
Complexity:224

Purity/Quality:

98%Min ^*data from raw suppliers

3-MethylphthalicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)C(=O)O)C(=O)O
Uses 3-Methylphthalic Acid is a by-product during the synthesis of 3-Methylhexahydrophthalic Anhydride (M312385), a useful reagent for the synthesis of?geometrical isomers of 1,2,3-trimethylcyclohexane. It can also be used to prepare?hydroxycarbamoyl carboxylic acids for the flotation of diaspore and aluminosilicate minerals.

Technology Process of 3-Methylphthalic acid

There total 29 articles about 3-Methylphthalic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

: 118-90-1
ortho-methylbenzoic acid

: 201230-82-2
carbon monoxide

: 37102-74-2
3-methylphthalic acid

Guidance literature:: With sodium acetate; palladium diacetate; silver carbonate; In 1,4-dioxane; at 130 ℃; for 18h; under 760.051 Torr;
DOI:10.1021/ja8063827

Reference yield:

: 1-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride

: 4792-30-7
3-methylphthalic acid anhydride

: 37102-74-2
3-methylphthalic acid

Guidance literature:: With sulfuric acid; at 5 - 7 ℃;

Reference yield:

: 534-22-5
2-methylfuran

: 4792-30-7
3-methylphthalic acid anhydride

: 37102-74-2
3-methylphthalic acid

Guidance literature:: Multi-step reaction with 2 steps

1: neat (no solvent) / 24 h / 20 °C / Inert atmosphere

2: methanesulfonic acid; acetic anhydride / Heating

With methanesulfonic acid; acetic anhydride; In neat (no solvent); 1: |Diels-Alder Cycloaddition;
DOI:10.1039/c3gc41655k