Adipic acid monoethyl ester

Base Information

• Chemical Name: Adipic acid monoethyl ester
• CAS No.: 626-86-8
• Molecular Formula: C8H14O4
• Molecular Weight: 174.197
• Hs Code.: 2917.12
• European Community (EC) Number: 210-966-7
• NSC Number: 8877
• DSSTox Substance ID: DTXSID70862319
• Nikkaji Number: J21.767K
• Wikidata: Q17325224
• Mol file: 626-86-8.mol

Synonyms:adipic acid monoethyl ester;monoethyl adipate

Chemical Property of Adipic acid monoethyl ester

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 28-29 °C(lit.)
• Refractive Index: 1.4387
• Boiling Point: 285.72 °C at 760 mmHg
• PKA: 4.69±0.10(Predicted)
• Flash Point: 110.837 °C
• PSA: 63.60000
• Density: 1.098 g/cm³
• LogP: 1.19450
• Storage Temp.: Refrigerator
• Solubility.: H2O: soluble50mg/mL, clear, colorless
• Water Solubility.: Soluble in water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Adipic acid monoethyl ester ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCC(=O)O
• Uses: Adipic acid monoethyl ester is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

Technology Process of Adipic acid monoethyl ester

There total 27 articles about Adipic acid monoethyl ester 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: 98.4%

Adipic acid (124-04-9) + ethanol (64-17-5) → adipinic acid monoethyl ester (626-86-8)

Guidance literature:

With acetic acid; In chloroform; water; at 60 ℃; for 8h; Reagent/catalyst; Temperature; Solvent;

Reference yield: 95.0%

adipic acid benzyl ethyl ester → adipinic acid monoethyl ester (626-86-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 1.5h; under 760.051 Torr; Inert atmosphere;

DOI:10.1002/chem.201603120

Reference yield: 92.0%

6-hydroxy-hexanoic acid ethyl ester (5299-60-5) → adipinic acid monoethyl ester (626-86-8)

Guidance literature:

With iodosylbenzene; potassium bromide; In water; at 20 ℃; for 2h;

DOI:10.1002/(SICI)1521-3773(20000403)39:7<1306::AID-ANIE1306>3.0.CO;2-J

upstream raw materials:

Adipic acid

ethanol

diethyl adipate

sodium ethanolate

Downstream raw materials:

isononoic acid

1-hexadecylcarboxylic acid

undecylenic acid

lauric acid

Refernces

• 1、 Dyker, Gerald. "Silica-Mediated Monohydrolysis of Dicarboxylic Esters". supporting information. p. 6773 - 6776. Retrieved 2021/12/31.
• 2、 Meng, Qing-Yuan,Wang, Shun,K?nig, Burkhard. "Carboxylation of Aromatic and Aliphatic Bromides and Triflates with CO2 by Dual Visible-Light–Nickel Catalysis". supporting information. p. 13426 - 13430. Retrieved 2017/10/07.