Isobutyl nonanoate

Base Information

• Chemical Name: Isobutyl nonanoate
• CAS No.: 30982-03-7
• Molecular Formula: C13H26O2
• Molecular Weight: 214.348
• European Community (EC) Number: 250-411-6
• UNII: 8J1S30GF9R
• DSSTox Substance ID: DTXSID2067583
• Nikkaji Number: J183.062G
• Wikidata: Q27270609
• Mol file: 30982-03-7.mol

Synonyms:Isobutyl nonanoate;Isobutyl pelargonate;30982-03-7;Isobutyl nonoate;Nonanoic acid, isobutyl ester;2-methylpropyl nonanoate;ISO-BUTYL-NONANOATE;Isobutyl nonan-1-oate;Nonanoic acid, 2-methylpropyl ester;UNII-8J1S30GF9R;8J1S30GF9R;EINECS 250-411-6;AI3-33733;MELAMINEPICRATE;Iso-butyl pelargonate;Isobutyl nonan- 1- oate;Nonanoic acid isobutyl ester;AEC ISOBUTYL PELARGONATE;SCHEMBL2397946;DTXSID2067583;ISOBUTYL PELARGONATE [INCI];NONANOIC ACID, 2-METHYPROPYL ESTER;FT-0627375;Q27270609

Chemical Property of Isobutyl nonanoate

Chemical Property:

• Vapor Pressure: 0.0236mmHg at 25°C
• Refractive Index: 1.431
• Boiling Point: 248.9 °C at 760 mmHg
• Flash Point: 104.7 °C
• PSA: 26.30000
• Density: 0.867 g/cm³
• LogP: 3.93620
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 214.193280068
• Heavy Atom Count: 15
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

ISO-BUTYL PELARGONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(=O)OCC(C)C

Technology Process of Isobutyl nonanoate

There total 1 articles about Isobutyl nonanoate 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:

nonanoic acid (112-05-0) + isobutyl chloroformate (543-27-1) → isobutyl nonan-1-oate (30982-03-7)

Guidance literature:

In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 0 - 20 ℃; for 0.5h;

DOI:10.1002/chem.201604022

Reference yield: 41.0%

isobutyl nonan-1-oate (30982-03-7) + C68H104N20O18*C2HF3O2 → C77H120N20O19

Guidance literature:

In tetrahydrofuran; N,N-dimethyl-formamide; at 0 ℃; for 2h;

DOI:10.1002/chem.201604022

upstream raw materials:

nonanoic acid

isobutyl chloroformate

Refernces