2-Ethylhexyl octanoate

Base Information

• Chemical Name: 2-Ethylhexyl octanoate
• CAS No.: 63321-70-0
• Molecular Formula: C16H32O2
• Molecular Weight: 256.429
• European Community (EC) Number: 264-098-9
• NSC Number: 403894
• UNII: M08O47I80J
• DSSTox Substance ID: DTXSID90867003
• Nikkaji Number: J327.073D
• Wikidata: Q27283293
• Mol file: 63321-70-0.mol

Synonyms:2-Ethylhexyl octanoate;63321-70-0;Octanoic acid, 2-ethylhexyl ester;2-ethylhexyl caprylate;Octanoic acid,2-ethylhexyl ester;UNII-M08O47I80J;M08O47I80J;EINECS 264-098-9;NSC-403894;AI3-02311;2-ethylhexyloctanoate;2-Ethylhexyl octanoate #;2-ETHYLHEXYL OCTANOAT;SCHEMBL332764;Caprylic acid 2-ethylhexyl ester;DTXSID90867003;2-ETHYL-1-HEXYL OCTANOATE;MFCD12031480;NSC403894;AKOS028108469;NSC 403894;(+/-)-2-ETHYLHEXYL CAPRYLATE;AS-57653;2-ETHYLHEXYL CAPRYLATE, (+/-)-;W-109244;Q27283293

Chemical Property of 2-Ethylhexyl octanoate

Chemical Property:

• Vapor Pressure: 0.0014mmHg at 25°C
• Refractive Index: 1.438
• Boiling Point: 296.8 °C at 760 mmHg
• Flash Point: 134.7 °C
• PSA: 26.30000
• Density: 0.864 g/cm³
• LogP: 5.10650
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 256.240230259
• Heavy Atom Count: 18
• Complexity: 190

Purity/Quality:

98%, ^*data from raw suppliers

2-ETHYLHEXYL OCTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OCC(CC)CCCC

Technology Process of 2-Ethylhexyl octanoate

There total 1 articles about 2-Ethylhexyl octanoate 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:

2-Ethylhexyl alcohol (104-76-7) + Octanoic acid (124-07-2) → 2-ethyl hexanol ester of octanoic acid (63321-70-0)

Guidance literature:

With sulfuric acid; at 150 ℃; for 3h;

DOI:10.1016/S0031-9422(82)85064-4

upstream raw materials:

2-Ethylhexyl alcohol

Octanoic acid