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

Base Information

• Chemical Name: Ethyl 2,4-dihydroxy-3,6-dimethylbenzoate
• CAS No.: 31581-32-5
• Molecular Formula: C11H14 O4
• Molecular Weight: 210.23
• European Community (EC) Number: 250-716-4
• UNII: NRI9NKP97H
• DSSTox Substance ID: DTXSID10185473
• Nikkaji Number: J278.151D
• Wikidata: Q27195188
• Metabolomics Workbench ID: 102540
• ChEMBL ID: CHEMBL2362814
• Mol file: 31581-32-5.mol

Synonyms:Ethyl 2,4-dihydroxy-3,6-dimethylbenzoate;31581-32-5;Ethyl atrarate;EthylAtrarate;NRI9NKP97H;EINECS 250-716-4;UNII-NRI9NKP97H;METHYLORSELLINIC ACID, ETHYL ESTER;2,4-Dihydroxy-3,6-dimethylbenzoic acid ethyl ester;Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, ethyl ester;KBio1_001277;Spectrum_000280;SpecPlus_000237;ethyl 3-methylorsellinate;Spectrum2_000173;Spectrum3_000239;Spectrum4_001534;Spectrum5_000068;BSPBio_001917;KBioGR_001968;KBioSS_000760;SPECTRUM210072;DivK1c_006333;SPBio_000065;SCHEMBL4117805;CHEMBL2362814;KBio2_000760;KBio2_003328;KBio2_005896;KBio3_001417;DTXSID10185473;CHEBI:114177;VJLLNFDLMWPNBN-UHFFFAOYSA-N;CCG-40005;ZB0713;SDCCGMLS-0066395.P001;NCGC00095793-01;NCGC00095793-02;BRD-K68438316-001-02-1;Q27195188

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

Chemical Property:

• Vapor Pressure: 4.91E-06mmHg at 25°C
• Boiling Point: 371.2°C at 760 mmHg
• Flash Point: 144.5°C
• Density: 1.213g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=C(C=C1C)O)C)O

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

There total 12 articles about Ethyl 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:

→ ethyl 2,4-dihydroxy-3,6-dimethylbenzoate (31581-32-5)

Guidance literature:

With palladium asbestos; at 150 ℃;

Reference yield:

→ ethyl 2,4-dihydroxy-3,6-dimethylbenzoate (31581-32-5)

Guidance literature:

With sodium hydroxide; palladium on activated charcoal; hydrogen;

Reference yield:

→ ethyl 2,4-dihydroxy-3,6-dimethylbenzoate (31581-32-5)

Guidance literature:

With sulfuric acid;

upstream raw materials:

ethanol

2,4-dihydroxy-3,6-dimethylbenzoic acid

ethyl hematommate

2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethyl-benzoyloxy)-3,6-dimethyl-benzoic acid ethyl ester

Downstream raw materials:

2,4-dihydroxy-3,6-dimethylbenzoic acid

ethyl 3-formyl-4,6-dihydroxy-2,5-dimethylbenzoate

2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethyl-benzoyloxy)-3,6-dimethyl-benzoic acid ethyl ester

ethyl 4-(4-benzyloxy-2-hydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate

Refernces

• 1、 Schleich, Sonja,Papaioannou, Maria,Baniahmad, Aria,Matusch, Rudolf. "Activity-guided isolation of an antiandrogenic compound of Pygeum africanum". . p. 547 - 551. Retrieved 2007/10/03.