2-Ethylhexyl butyrate

Base Information

• Chemical Name: 2-Ethylhexyl butyrate
• CAS No.: 25415-84-3
• Molecular Formula: C12H24 O2
• Molecular Weight: 200.321
• European Community (EC) Number: 246-959-0
• DSSTox Substance ID: DTXSID00885298
• Nikkaji Number: J148.059F
• Mol file: 25415-84-3.mol

Synonyms:2-Ethylhexyl butyrate;25415-84-3;2-ethylhexyl butanoate;Butanoic acid, 2-ethylhexyl ester;n-Butyric acid 2-ethylhexyl ester;2-ETHYLHEXYLBUTYRATE;Butyric Acid 2-Ethylhexyl Ester;EINECS 246-959-0;2-Ethylhexyl butyrate #;SCHEMBL246876;DTXSID00885298;n-Butyric acid 2-ethylhexyl ether;MFCD00059428;BS-22903;B0130;CS-0205003;FT-0766401

Chemical Property of 2-Ethylhexyl butyrate

Chemical Property:

• Vapor Pressure: 0.0609mmHg at 25°C
• Melting Point: -56°C (estimate)
• Refractive Index: 1.4240-1.4270
• Boiling Point: 231.9°Cat760mmHg
• Flash Point: 94°C
• PSA: 26.30000
• Density: 0.869g/cm³
• LogP: 3.54610
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Ethylhexyl Butyrate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)CCC

Technology Process of 2-Ethylhexyl butyrate

There total 4 articles about 2-Ethylhexyl butyrate 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: 58.0%

2-Ethylhexyl alcohol (104-76-7) + butyryl chloride (141-75-3) → n-butyric acid 2-ethylhexyl ester (25415-84-3)

Guidance literature:

With pyridine; for 1.5h; Ambient temperature;

DOI:10.1016/0957-4166(96)00078-X

Reference yield:

butyraldehyde (123-72-8) → n-butyric acid 2-ethylhexyl ester (25415-84-3) + butan-1-ol (71-36-3)

Guidance literature:

With hydrogen; at 399.84 ℃; for 4h; under 7500.75 Torr;

DOI:10.1016/j.catcom.2011.09.022

Reference yield:

2-Ethylhexyl alcohol (104-76-7) + vinyl n-butyrate (123-20-6,24991-31-9) → n-butyric acid 2-ethylhexyl ester (25415-84-3)

Guidance literature:

With polyvinyl alcohol : chitosan : lipase (Pseudomonas cepacia) 5:5:2.5; at 52 ℃; for 3h; Sonication; Enzymatic reaction;

DOI:10.1016/j.molcatb.2015.09.012

upstream raw materials:

2-Ethylhexyl alcohol

butyryl chloride

butyraldehyde

vinyl n-butyrate

Refernces

• 1、 Kim, Sung Min,Lee, Mi Eun,Choi, Jae-Wook,Suh, Dong Jin,Suh, Young-Woong. "Conversion of biomass-derived butanal into gasoline-range branched hydrocarbon over Pd-supported catalysts". scheme or table. p. 108 - 113. Retrieved 2012/03/10.