2-Ethyl-2-methyloctanoic acid

Base Information

• Chemical Name: 2-Ethyl-2-methyloctanoic acid
• CAS No.: 31199-56-1
• Molecular Formula: C11H22 O2
• Molecular Weight: 186.294
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID30522967
• Nikkaji Number: J833.675J
• Mol file: 31199-56-1.mol

Synonyms:2-ETHYL-2-METHYLOCTANOIC ACID;31199-56-1;SCHEMBL573735;2-ethyl-2-methyl-octanoic acid;DTXSID30522967;QJPPPIFMLKUMEW-UHFFFAOYSA-N;2-ETHYL-2-METHYLOCTANOICACID;AKOS012033546;AT41187;CS-0264139;EN300-92036;Z995182172

Chemical Property of 2-Ethyl-2-methyloctanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.45770
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slig
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2-ethyl-2-methyloctanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Ethyl-2-methyloctanoic acid

There total 3 articles about 2-Ethyl-2-methyloctanoic 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: 30.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + carbon monoxide (201230-82-2) → 2-methyl-2-butylhexanoic acid (17306-50-2) + 2,2-dimethylnonanoic acid (14250-75-0) + 2-methyl-2-ethyloctanoic acid (31199-56-1) + 2-methyl-2-propylheptanoic acid (39037-67-7)

Guidance literature:

With Ph₄(CO)12; sulfuric acid; at 20 ℃; for 1h; under 760 Torr;

DOI:10.1021/jo991659u

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) + 2,2-dimethylnonanoic acid (14250-75-0) + 2-methyl-2-ethyloctanoic acid (31199-56-1) + 2-methyl-2-propylheptanoic acid (39037-67-7)

Guidance literature:

With copper(I) oxide; (BF₃*H₂O)(BF₃*H₃PO₄); at 30 ℃; for 4h; under 760 Torr; Product distribution; other catalyst;

DOI:10.1007/BF00952388

Reference yield:

1-Decanol (112-30-1) + carbon monoxide (201230-82-2) → 2-methyl-2-butylhexanoic acid (17306-50-2) + 2,2-dimethylnonanoic acid (14250-75-0) + 2-methyl-2-ethyloctanoic acid (31199-56-1) + 2-methyl-2-propylheptanoic acid (39037-67-7)

Guidance literature:

With sulfuric acid; cyclo-bis(μ-carbonyl)dipalladium(I) cation; at 20 ℃; under 760 Torr;

DOI:10.1021/jo990449e

upstream raw materials:

1-Decene

carbon monoxide

1-Decanol

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