Pentyl 2-methylpentanoate

Base Information

• Chemical Name: Pentyl 2-methylpentanoate
• CAS No.: 6297-48-9
• Molecular Formula: C₁₁H₂₂O₂
• Molecular Weight: 186.294
• European Community (EC) Number: 228-570-8
• NSC Number: 17896
• DSSTox Substance ID: DTXSID301040117
• Nikkaji Number: J99.514B
• Mol file: 6297-48-9.mol

Synonyms:Pentyl 2-methylpentanoate;Amyl 2-methylvalerate;Amyl-2-methylvalerate;6297-48-9;Pentyl 2-methylvalerate;Valeric acid, 2-methyl-, pentyl ester;Pentanoic acid, 2-methyl-, pentyl ester;EINECS 228-570-8;pentyl alpha-methylpentanate;Pentyl 2-methylpentanoate #;SCHEMBL7224695;SDCYWLNURCILGU-UHFFFAOYSA-;2-Methylvaleric acid pentyl ester;DTXSID301040117;NSC17896;NSC 17896;NSC-17896;AKOS006239994;FT-0622369

Chemical Property of Pentyl 2-methylpentanoate

Chemical Property:

• Vapor Pressure: 0.158mmHg at 25°C
• Boiling Point: 214.2°C at 760 mmHg
• Flash Point: 82.9°C
• PSA: 26.30000
• Density: 0.87g/cm³
• LogP: 3.15600
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentyl 2-methylpentanoate

There total 1 articles about Pentyl 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:

2-Methylpentanoic acid (97-61-0,22160-39-0) + pentan-1-ol (71-41-0) → methyl (R)-2-methylbutyric acid (49642-47-9) + pentyl (+)-2-methylpentanoate (6297-48-9)

Guidance literature:

With magnesium hydrosilicate; immobilized lipase from Candida cylindracea; In hexane; at 25 ℃; for 504h; Enzymatic reaction;

Reference yield:

pentyl (+)-2-methylpentanoate (6297-48-9) → (S)-2-methylpentanoic acid (1187-82-2)

Guidance literature:

upstream raw materials:

2-Methylpentanoic acid

pentan-1-ol

Downstream raw materials:

(S)-2-methylpentanoic acid

Refernces