Methyl ethyl phthalate

Base Information

• Chemical Name: Methyl ethyl phthalate
• CAS No.: 34006-77-4
• Molecular Formula: C11H12 O4
• Molecular Weight: 208.214
• DSSTox Substance ID: DTXSID90187617
• Nikkaji Number: J46.696D
• Wikidata: Q63408650
• Mol file: 34006-77-4.mol

Synonyms:METHYL ETHYL PHTHALATE;34006-77-4;1,2-Benzenedicarboxylic acid, ethyl methyl ester;ethyl methyl phthalate;ethyl-methyl phthalate;SCHEMBL495814;1-Ethyl 2-methyl phthalate #;DTXSID90187617;HGERXYZHJFOFNE-UHFFFAOYSA-N;AKOS007848107;1,2-BENZENEDICARBOXYLIC ACID ETHYL METHYLESTER;Q63408650

Chemical Property of Methyl ethyl phthalate

Chemical Property:

• Vapor Pressure: 0.0021mmHg at 25°C
• Boiling Point: 290.2°C at 760 mmHg
• Flash Point: 151°C
• PSA: 52.60000
• Density: 1.145g/cm³
• LogP: 1.64990
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OC

Technology Process of Methyl ethyl phthalate

There total 9 articles about Methyl ethyl phthalate 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: 73.0%

ethanol (64-17-5) + o-iodo-methyl-benzoic acid (610-97-9) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → ethyl methyl phthalate (34006-77-4)

Guidance literature:

With C₃₅H₂₀F₃₄NO₃^(1-)*Pd⁽²⁺⁾*Cl^(1-); N-ethyl-N,N-diisopropylamine; In neat (no solvent); at 130 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1016/j.tet.2014.09.065

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + monoethyl phthalate (2306-33-4) → ethyl methyl phthalate (34006-77-4)

Guidance literature:

In diethyl ether; at 20 ℃; for 0.5h;

DOI:10.1021/es001860i

Reference yield:

Monomethyl phthalate (4376-18-5) → ethyl methyl phthalate (34006-77-4)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

With thionyl chloride;

upstream raw materials:

methanol

monoethyl phthalate

ethanol

Monomethyl phthalate

Downstream raw materials:

methanol

phthalic anhydride

ethene

Refernces

• 1、 Loupy, André,Maurel, Fran?ois,Sabatié-Gogová, Andrea. "Improvements in Diels-Alder cycloadditions with some acetylenic compounds under solvent-free microwave-assisted conditions: Experimental results and theoretical approaches". . p. 1683 - 1691. Retrieved 2007/10/03.