2-Methylpentyl 2-methylpentanoate

Base Information

• Chemical Name: 2-Methylpentyl 2-methylpentanoate
• CAS No.: 90397-38-9
• Molecular Formula: C12H24O2
• Molecular Weight: 200.321
• European Community (EC) Number: 291-418-4
• DSSTox Substance ID: DTXSID2052605
• Nikkaji Number: J24.700F
• Mol file: 90397-38-9.mol

Synonyms:2-Methylpentyl 2-methylpentanoate;90397-38-9;2-Methylpentyl 2-methylvalerate;Pentanoic acid, 2-methyl-, 2-methylpentyl ester;EINECS 291-418-4;2-Methylvaleric acid 2-methylpentyl ester;SCHEMBL2012383;DTXSID2052605;2 - methylpentyl 2 - methylvalerate

Chemical Property of 2-Methylpentyl 2-methylpentanoate

Chemical Property:

• Appearance/Colour: clear mobile liquid
• Vapor Pressure: 0.104mmHg at 25°C
• Refractive Index: 1.427
• Boiling Point: 222 ºC at 760 mmHg
• Flash Point: 91.8 ºC
• PSA: 26.30000
• Density: 0.867 g/cm³
• LogP: 3.40200
• Water Solubility.: 4.6mg/L at 20℃
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 154

Purity/Quality:

99.9% ^*data from raw suppliers

2-METHYLPENTYL 2-METHYLVALERATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)COC(=O)C(C)CCC

Technology Process of 2-Methylpentyl 2-methylpentanoate

There total 4 articles about 2-Methylpentyl 2-methylpentanoate 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: 95.0%

2-methylpentan-1-ol (105-30-6) → 2-methylpentyl 2-methylpentanoate (90397-38-9)

Guidance literature:

With dihydrogen peroxide; bromine; In dichloromethane; water; at 20 ℃; for 6h;

Reference yield: 89.0%

2-methylvaleraldehyde (123-15-9) → 2-methylpentyl 2-methylpentanoate (90397-38-9)

Guidance literature:

With trimethylaluminum; benzene-1,2-diol; isopropyl alcohol; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/S0040-4020(01)01004-3

Reference yield: 85.0%

2-methylpentan-1-ol (105-30-6) → 2-Methylpentanoic acid (97-61-0,22160-39-0) + 2-methylpentyl 2-methylpentanoate (90397-38-9)

Guidance literature:

With sodium bromate; sodium hydrogensulfite; for 2h; Ambient temperature;

DOI:10.1246/cl.1995.871

upstream raw materials:

2-methylpentan-1-ol

2-methylvaleraldehyde

Refernces

• 1、 Solvhoj, Amanda,Madsen, Robert. "Dehydrogenative coupling of primary alcohols to form esters catalyzed by a ruthenium N-heterocyclic carbene complex". experimental part. p. 6044 - 6048. Retrieved 2012/01/13.
• 2、 Simpura, Ilkka,Nevalainen, Vesa. "Symmetric esters by Tischtschenko reaction of aldehydes catalyzed by bi- and tridentate catalysts derived from catechol or gallol, trimethylaluminum and isopropanol". . p. 9867 - 9872. Retrieved 2007/10/03.