2-Ethylhexyl 2-ethylhexanoate

Base Information

• Chemical Name: 2-Ethylhexyl 2-ethylhexanoate
• CAS No.: 7425-14-1
• Molecular Formula: C16H32 O2
• Molecular Weight: 256.429
• European Community (EC) Number: 231-057-1
• UNII: 430RJA6715
• DSSTox Substance ID: DTXSID9052478
• Nikkaji Number: J49.414C
• Wikidata: Q27258591
• Mol file: 7425-14-1.mol

Synonyms:2-Ethylhexyl 2-ethylhexanoate;7425-14-1;HEXANOIC ACID, 2-ETHYL-, 2-ETHYLHEXYL ESTER;2-Ethylhexyl-2-ethylhexanoate;2-Ethylhexanoic acid, 2-ethylhexyl ester;Hexanoic acid,2-ethyl-, 2-ethylhexyl ester;EINECS 231-057-1;BRN 1777190;2-Ethylhexylester kyseliny 2-ethylkapronove;ETHYLHEXYL ETHYLHEXANOATE;UNII-430RJA6715;2-Ethylhexylester kyseliny 2-ethylkapronove [Czech];430RJA6715;2-Ethylhexanoic acid 2-ethylhexyl ester;SCHEMBL55328;OCTYL OCTANOATE (RIFM);2-Ethylhexyl -2-ethylhexanoate;DTXSID9052478;(2-ethylhexyl) 2-ethylhexanoate;2- ethylhexyl 2- ethylhexanoate;ETHYLHEXYL ETHYLHEXANOATE [INCI];LS-75288;2-ethyl-hexanoic acid 2-ethyl-hexyl ester;A904307;HEXANOIC ACID, 2-ETHYL, 2-ETHYLHEXYL ESTER;W-110219;Q27258591

Chemical Property of 2-Ethylhexyl 2-ethylhexanoate

Chemical Property:

• Vapor Pressure: 0.00236mmHg at 25°C
• Melting Point: -18.1°C (estimate)
• Refractive Index: 1.4096 (estimate)
• Boiling Point: 288.3 °C at 760 mmHg
• Flash Point: 137.1 °C
• PSA: 26.30000
• Density: 0.863 g/cm³
• LogP: 4.96240
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 256.240230259
• Heavy Atom Count: 18
• Complexity: 201

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C(CC)CCCC

Technology Process of 2-Ethylhexyl 2-ethylhexanoate

There total 14 articles about 2-Ethylhexyl 2-ethylhexanoate 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: 98.0%

2-Ethylhexyl alcohol (104-76-7) + 2-Ethylhexanoic acid (149-57-5) → 2-ethylhexyl 2-ethylhexanoate (7425-14-1)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; at 140 ℃; Inert atmosphere;

DOI:10.21608/EJCHEM.2021.83605.4103

Reference yield: 95.0%

2-Ethylhexyl alcohol (104-76-7) → 2-ethylhexyl 2-ethylhexanoate (7425-14-1)

Guidance literature:

With N-Bromosuccinimide; L-proline; In water; at 20 ℃; for 1h;

DOI:10.1080/00397911.2010.521966

Reference yield: 94.0%

d,l-2-ethylhexanal (123-05-7) → 2-ethylhexyl 2-ethylhexanoate (7425-14-1)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel⁽⁰⁾; 1,3-bis-(2,6-diisopropylphenyl)-4,5-dichloroimidazol-2-ylidene; In toluene; at 23 - 60 ℃; Inert atmosphere;

DOI:10.1039/b926866a

upstream raw materials:

d,l-2-ethylhexanal

aluminum isopropoxide

2-Ethylhexyl alcohol

toluene

Refernces

• 1、 -. "Process for the production of esters". Page/Page column 2; 3. . Retrieved 2020/03/18.
• 2、 An, Jichao,He, Pan,Li, Wenhao,Liu, Peipei,Si, Mengyuan,Yang, Bo,Yang, Guanyu. "Practical catalytic nitration directly with commercial nitric acid for the preparation of aliphatic nitroesters". . p. 6612 - 6616. Retrieved 2020/09/21.