Mono(2-ethylhexyl) adipate

Base Information

• Chemical Name: Mono(2-ethylhexyl) adipate
• CAS No.: 4337-65-9
• Molecular Formula: C14H26 O4
• Molecular Weight: 258.358
• European Community (EC) Number: 224-386-7
• UNII: D01X12CH07
• DSSTox Substance ID: DTXSID3025679
• Nikkaji Number: J21.766B
• Wikidata: Q27893579
• Mol file: 4337-65-9.mol

Synonyms:4337-65-9;Mono(2-ethylhexyl) adipate;2-Ethylhexyl hydrogen adipate;2-ethylhexyl adipate;6-(2-ethylhexoxy)-6-oxohexanoic acid;MEHA;CCRIS 4296;EINECS 224-386-7;Mono(2-ethylhexyl)adipate;Mono-2-ethylhexyl adipate;6-((2-Ethylhexyl)oxy)-6-oxohexanoic acid;6-[(2-Ethylhexyl)oxy]-6-oxohexanoic acid;Hexanedioic acid, mono(2-ethylhexyl) ester;5-((2-ethylhexyloxy)carbonyl)pentanoic acid;D01X12CH07;SCHEMBL433435;UNII-D01X12CH07;DTXSID3025679;LS-117;AKOS032961420;ADIPIC ACID, 2-ETHYLHEXYL ESTER;AS-59653;hexanedioic acid mono(2-ethylhexyl) ester;Hexanedioic acid, mono(2-ethylhexyl)ester;6-[(2-Ethylhexyl)oxy]-6-oxohexanoic acid #;ADIPIC ACID, MONO(2-ETHYLHEXYL) ESTER;HEXANEDIOIC ACID, 1-(2-ETHYLHEXYL) ESTER;Q27893579

Chemical Property of Mono(2-ethylhexyl) adipate

Chemical Property:

• Vapor Pressure: 1.69E-06mmHg at 25°C
• Boiling Point: 370.3°C at 760 mmHg
• PKA: 4.68±0.10(Predicted)
• Flash Point: 127.8°C
• PSA: 63.60000
• Density: 1g/cm³
• LogP: 3.39100
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 258.18310931
• Heavy Atom Count: 18
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCC(CC)COC(=O)CCCCC(=O)O

Technology Process of Mono(2-ethylhexyl) adipate

There total 3 articles about Mono(2-ethylhexyl) adipate 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:

Adipic acid (124-04-9) + 2-Ethylhexyl alcohol (104-76-7) → adipic acid mono-2-ethylhexyl ester (4337-65-9) + di(2-ethylhexyl)adipate (103-23-1)

Guidance literature:

With hydrogenchloride; In water; for 4h; Reflux;

Reference yield:

Adipic acid (124-04-9) + 2-Ethylhexyl alcohol (104-76-7) → adipic acid mono-2-ethylhexyl ester (4337-65-9)

Guidance literature:

at 150 ℃;

Reference yield:

2-Ethylhexyl alcohol (104-76-7) + adipic anhydride (2035-75-8) → adipic acid mono-2-ethylhexyl ester (4337-65-9)

Guidance literature:

With pyridine; at 125 ℃;

DOI:10.1016/j.chemosphere.2017.01.026

upstream raw materials:

Adipic acid

2-Ethylhexyl alcohol

adipic anhydride

Downstream raw materials:

di(2-ethylhexyl)adipate

Refernces

• 1、 Eljezi, Teuta,Pinta, Pierre,Richard, Damien,Pinguet, Jérémy,Chezal, Jean-Michel,Chagnon, Marie-Christine,Sautou, Valérie,Grimandi, Ga?l,Moreau, Emmanuel. "In vitro cytotoxic effects of DEHP-alternative plasticizers and their primary metabolites on a L929 cell line". . p. 452 - 459. Retrieved 2017/02/05.