3-Methylbutyl heptanoate

Base Information

• Chemical Name: 3-Methylbutyl heptanoate
• CAS No.: 109-25-1
• Molecular Formula: C12H24O2
• Molecular Weight: 200.321
• Hs Code.: 2915900090
• European Community (EC) Number: 203-658-9
• UNII: BK698490B6
• DSSTox Substance ID: DTXSID6059366
• Nikkaji Number: J183.101A
• Wikidata: Q27274716
• Metabolomics Workbench ID: 160638
• Mol file: 109-25-1.mol

Synonyms:3-Methylbutyl heptanoate;Isoamyl heptanoate;109-25-1;Heptanoic acid, 3-methylbutyl ester;iso-Amyl n-heptanoate;Heptanoic acid,3-methylbutyl ester;UNII-BK698490B6;EINECS 203-658-9;BK698490B6;AI3-33579;Isoamyl enanthate;Isopentyl heptanoate;Isopentyl heptanoate #;3 - methylbutyl heptanoate;Heptanoic acid isoamyl ester;SCHEMBL3506124;DTXSID6059366;HEPTANOATE, 3-METHYLBUTYL;HEPTANOIC ACID, ISOPENTYL ESTER;FT-0627331;Q27274716

Chemical Property of 3-Methylbutyl heptanoate

Chemical Property:

• Vapor Pressure: 0.0609mmHg at 25°C
• Refractive Index: 1.428
• Boiling Point: 231.9 °C at 760 mmHg
• Flash Point: 94 °C
• PSA: 26.30000
• Density: 0.869 g/cm³
• LogP: 3.54610
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 141

Purity/Quality:

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

ISO-AMYL-HEPTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methylbutyl heptanoate

There total 1 articles about 3-Methylbutyl heptanoate 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:

i-Amyl alcohol (123-51-3) + oenanthic acid (111-14-8) → 3-methylbutyl heptanoate (109-25-1)

Guidance literature:

With sulfuric acid; In benzene;

upstream raw materials:

i-Amyl alcohol

oenanthic acid