2-Methylnonanoic acid

Base Information

• Chemical Name: 2-Methylnonanoic acid
• CAS No.: 24323-21-5
• Deprecated CAS: 166732-91-8
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.268
• European Community (EC) Number: 246-162-8
• DSSTox Substance ID: DTXSID80884901
• Nikkaji Number: J287.212I
• Metabolomics Workbench ID: 159
• Mol file: 24323-21-5.mol

Synonyms:2-Methylnonanoic acid;24323-21-5;2-methyl nonaoic acid;2-Methylnonan-1-oic acid;2-methyl-nonanoic acid;Nonanoic acid, 2-methyl-;EINECS 246-162-8;2-METHYLNONANOICACID;SCHEMBL277986;DTXSID80884901;CHEBI:179555;LMFA01020089

Chemical Property of 2-Methylnonanoic acid

Chemical Property:

• Vapor Pressure: 0.00178mmHg at 25°C
• Refractive Index: 1.441
• Boiling Point: 271.6 °C at 760 mmHg
• PKA: 4.82±0.21(Predicted)
• Flash Point: 142.3 °C
• PSA: 37.30000
• Density: 0.913 g/cm³
• LogP: 3.06760
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

98%Min ^*data from raw suppliers

2-METHYLNONANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(C)C(=O)O

Technology Process of 2-Methylnonanoic acid

There total 14 articles about 2-Methylnonanoic acid 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: 89.0%

non-1-ene (124-11-8) + carbon monoxide (201230-82-2) → 2-methylnonanoic acid (117214-89-8,121820-33-5,24323-21-5)

Guidance literature:

With propionic acid; for 1.5h; under 37503.8 Torr; Pressure; Reagent/catalyst; Autoclave; Heating;

Reference yield: 66.0%

non-1-ene (124-11-8) + carbon monoxide (201230-82-2) → 2-methylnonanoic acid (117214-89-8,121820-33-5,24323-21-5) + 1-decanoic acid (334-48-5)

Guidance literature:

With water; triphenylphosphine; tin(ll) chloride; palladium dichloride; In acetone; at 90 ℃; for 6h; under 18240 Torr;

Reference yield: 33.0%

non-1-ene (124-11-8) + carbon monoxide (201230-82-2) → 2-methylnonanoic acid (117214-89-8,121820-33-5,24323-21-5) + 1-decanoic acid (334-48-5) + nonane-3-carboxylic acid (25234-25-7)

Guidance literature:

With water; triphenylphosphine; palladium dichloride; In acetone; at 90 ℃; for 6h; under 9880 Torr; Product distribution; further amounts of reagents, further pressure, selectivity;

upstream raw materials:

2-methyl-1-nonanol

heptyl-methyl-malonic acid diethyl ester

non-1-ene

carbon monoxide

Downstream raw materials:

oenanthic acid

Octanoic acid

acetic acid

methylammonium carbonate

Refernces

• 1、 Kirillova, Marina V.,Kirillov, Alexander M.,Pombeiro, Armando J.L.. "Mild, single-pot hydrocarboxylation of linear C5-C9 alkanes into branched monocarboxylic C6-C10 acids in copper-catalyzed aqueous systems". experimental part. p. 106 - 113. Retrieved 2012/04/04.
• 2、 Hedenstroem, Erik,Andersson, Fredrik. "Syntheses of female sex pheromone precursors of pine sawfly species and of some structurally related methyl-branched long-chain 2-alkanols.". . p. 1237 - 1254. Retrieved 2007/10/03.