Pentyl 2-methylbutyrate

Base Information

• Chemical Name: Pentyl 2-methylbutyrate
• CAS No.: 68039-26-9
• Deprecated CAS: 144810-16-2
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• European Community (EC) Number: 268-244-2
• DSSTox Substance ID: DTXSID50867443
• Nikkaji Number: J183.082A
• Wikidata: Q82854867
• Mol file: 68039-26-9.mol

Synonyms:AMYL-2-METHYLBUTYRATE;68039-26-9;Pentyl 2-methylbutyrate;Pentyl 2-methylbutanoate;Amyl 2-methylbutyrate;Butanoic acid, 2-methyl-, pentyl ester;n-Amyl 2-methylbutyrate;EINECS 268-244-2;Pentyl-2-methylbutanoat;n-Amyl 2-methylbutanoate;N-Amyl 2-methyl butyrate;Pentyl 2-methylbutanoate #;SCHEMBL2418446;DTXSID50867443;2-Methylbutyric acid pentyl ester;Butanoic acid,2-methyl-,pentyl ester;AKOS006239757;BS-49056;CS-0454821;FT-0622368;E79269

Chemical Property of Pentyl 2-methylbutyrate

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.413mmHg at 25°C
• Refractive Index: 1.421
• Boiling Point: 195.7 °C at 760 mmHg
• Flash Point: 71.4 °C
• PSA: 26.30000
• Density: 0.872 g/cm³
• LogP: 2.76590
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=O)C(C)CC

Technology Process of Pentyl 2-methylbutyrate

There total 1 articles about Pentyl 2-methylbutyrate 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: 95.9%

2-Methylbutanoic acid (116-53-0,600-07-7) + pentan-1-ol (71-41-0) → pentyl 2-methylbutanoate (68039-26-9)

Guidance literature:

With pyridine; dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 3.5h;

DOI:10.1021/jf503631e

upstream raw materials:

2-Methylbutanoic acid

pentan-1-ol

Refernces

• 1、 Seo, Seon-Mi,Kim, Junheon,Koh, Sang-Hyun,Ahn, Young-Joon,Park, Il-Kwon. "Nematicidal activity of natural ester compounds and their analogues against pine wood nematode, bursaphelenchus xylophilus". . p. 9103 - 9108. Retrieved 2015/03/14.