2-Propyloctanoic acid

Base Information

• Chemical Name: 2-Propyloctanoic acid
• CAS No.: 31080-41-8
• Molecular Formula: C11H22O2
• Molecular Weight: 186.294
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID60339025
• Mol file: 31080-41-8.mol

Synonyms:2-Propyloctanoic acid;31080-41-8;Octanoic acid, 2-propyl-;R-(-)-ArundicAcid-d3;S-(+)-ArundicAcid-d3;hexylpentanoic acid;2-PROPYLOCTANOICACID;SCHEMBL277260;(R)-2-PROPYLOCTANOICACID;DTXSID60339025;BCP18227;FT-0662299;FT-0662300;FT-0736909;F72428

Chemical Property of 2-Propyloctanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.45770
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Propyloctanoic acid

There total 2 articles about 2-Propyloctanoic 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:

1-Decene (872-05-9,17438-89-0,25189-70-2) + carbon monoxide (201230-82-2) → decane 3-carboxylic acid (14276-84-7) + 2-butyl-heptanoic acid (22058-70-4) + 2-methyl decanoic acid (24323-23-7) + decane 4-carboxylic acid (31080-41-8)

Guidance literature:

With sulfuric acid; at -5 ℃; under 76000 Torr;

Reference yield:

1-Decene (872-05-9,17438-89-0,25189-70-2) + carbon monoxide (201230-82-2) → decane 3-carboxylic acid (14276-84-7) + undecylenic acid (112-37-8) + 2-methyl decanoic acid (24323-23-7) + decane 4-carboxylic acid (31080-41-8)

Guidance literature:

cobalt carbonyls modified with pyridine; at 130 - 150 ℃; under 97507.8 Torr; Product distribution; changing temperature and pressure;

upstream raw materials:

1-Decene

carbon monoxide