3-Methylbutyl 2-methylbutanoate

Base Information

• Chemical Name: 3-Methylbutyl 2-methylbutanoate
• CAS No.: 27625-35-0
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• European Community (EC) Number: 298-375-0,248-581-1
• UNII: 7LGN25Y6EK
• DSSTox Substance ID: DTXSID90865387
• Nikkaji Number: J183.083J
• Metabolomics Workbench ID: 48863
• Mol file: 27625-35-0.mol

Synonyms:27625-35-0;3-Methylbutyl 2-methylbutanoate;Isoamyl 2-methylbutyrate;Isopentyl 2-methylbutyrate;Butanoic acid, 2-methyl-, 3-methylbutyl ester;Isopentyl 2-methylbutanoate;3-Methylbutyl 2-methylbutyrate;Isoamyl 2-methylbutanoate;3-Methylbutyl methylbutyrate;iso-Amyl 2-methyl butyrate;Isoamyl alpha-methylbutyrate;FEMA No. 3505;Fema 3505;UNII-7LGN25Y6EK;7LGN25Y6EK;3-Methylbutyl-2-methyl-butyrate;EINECS 248-581-1;EINECS 298-375-0;93803-99-7;3-Methylbutyl 2-methylbutanoate (natural);AI3-33629;isoamyl 2-methyl butyrate;SCHEMBL891188;ISOAMYL-2-METHYLBUTYRATE;DTXSID90865387;ISOPENTYL-2-METHYLBUTYRATE;CHEBI:179544;2-Methylbutyric acid isopentyl ester;LMFA07010757;MFCD00048645;AKOS024437763;(+/-)-ISOAMYL 2-METHYLBUTYRATE;AS-75501;ISOAMYL 2-METHYLBUTYRATE, (+/-)-;Butanoic acid,2-methyl-,3-methylbutyl ester;FT-0627325;3-Methylbutyl 2-methylbutanoate >=98%, FG;3-METHYLBUTYL 2-METHYLBUTANOATE [FHFI];3-Methylbutyl 2-methylbutanoate, >=98%, FG;D97785;J-640434;J-800455;Q27268520;3-Methylbutyl 2-methylbutanoate, natural, 70% 3-methylbutyl 2-methylbutanoate basis

Chemical Property of 3-Methylbutyl 2-methylbutanoate

Chemical Property:

• Appearance/Colour: Colorless Liquid
• Vapor Pressure: 0.713mmHg at 25°C
• Refractive Index: 1.42
• Boiling Point: 185 °C at 760 mmHg
• Flash Point: 65.2 °C
• PSA: 26.30000
• Density: 0.87 g/cm³
• LogP: 2.62180
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

3-Methylbutyl 2-methylbutanoate ≥98%, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C(=O)OCCC(C)C

Technology Process of 3-Methylbutyl 2-methylbutanoate

There total 1 articles about 3-Methylbutyl 2-methylbutanoate 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: 87.2%

2-Methylbutanoic acid (116-53-0,600-07-7) + i-Amyl alcohol (123-51-3) → 3-methylbutyl 2-methyl butanoate (27625-35-0)

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

i-Amyl alcohol

Refernces