Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

Base Information

Chemical Name:Methyl 2,4-dihydroxy-3,6-dimethylbenzoate
CAS No.:4707-47-5
Deprecated CAS:136218-95-6
Molecular Formula:C10H12O4
Molecular Weight:196.203
Hs Code.:2918 29 00
European Community (EC) Number:225-193-0
UNII:12YH9T04QE
DSSTox Substance ID:DTXSID9041653
Nikkaji Number:J38.919F
Wikipedia:Atraric_acid
Wikidata:Q15634313
RXCUI:2396434
Metabolomics Workbench ID:140597
ChEMBL ID:CHEMBL508287
Mol file:4707-47-5.mol

Synonyms:atraric acid

Suppliers and Price of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

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
MethylAtrarate
5g
$ 65.00

Sigma-Aldrich
Methyl atratate ≥98%
sample
$ 50.00

Sigma-Aldrich
Methyl 2,4-dihydroxy-3,6-dimethylbenzoate for synthesis. CAS 4707-47-5, molar mass 196.2 g/mol., for synthesis
8147040005
$ 131.00

Sigma-Aldrich
Methyl 2,4-dihydroxy-3,6-dimethylbenzoate for synthesis
5 g
$ 125.80

Crysdot
AtraricAcid 98%
10g
$ 105.00

Crysdot
AtraricAcid 98%
5g
$ 62.00

Chem-Impex
Methylatratate,98-100%(GC) 98-100%(GC)
5KG
$ 759.36

Chem-Impex
Methylatratate,98-100%(GC) 98-100%(GC)
10KG
$ 1379.84

Chem-Impex
Methylatratate,98-100%(GC) 98-100%(GC)
25KG
$ 3104.65

Chem-Impex
Methylatratate,98-100%(GC) 98-100%(GC)
50KG
$ 5933.76

Total 90 raw suppliers

Chemical Property of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

Chemical Property:

Appearance/Colour:white to pinkish yellow crystalline powder (est)
Vapor Pressure:1.05E-05mmHg at 25°C
Melting Point:141-146°C(lit.)
Refractive Index:1.57
Boiling Point:360.7 °C at 760 mmHg
PKA:8.63±0.28(Predicted)
Flash Point:143.9 °C
PSA：66.76000
Density:1.251 g/cm³
LogP:1.50120
Storage Temp.:Store below +30°C.
Water Solubility.:18mg/L at 24℃
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:196.07355886
Heavy Atom Count:14
Complexity:216

Purity/Quality:

98% ^*data from raw suppliers

MethylAtrarate ^*data from reagent suppliers

Safty Information:

Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.;
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1C(=O)OC)O)C)O
Uses Methyl atratate is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.

Technology Process of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

There total 48 articles about Methyl 2,4-dihydroxy-3,6-dimethylbenzoate 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: 90.4%

: 4707-46-4
2,4-dihydroxy-3,6-dimethylbenzoic acid

: 74-88-4
methyl iodide

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Guidance literature:: 2,4-dihydroxy-3,6-dimethylbenzoic acid; With potassium hydrogencarbonate; In N,N-dimethyl-formamide; at 40 ℃; for 0.166667h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; for 1.41667h; Inert atmosphere;