2-Isopropyl-5-methylhexanoic acid

Base Information

• Chemical Name: 2-Isopropyl-5-methylhexanoic acid
• CAS No.: 4384-07-0
• Molecular Formula: C10H20O2
• Molecular Weight: 172.2646
• Hs Code.: 2915900090
• European Community (EC) Number: 696-067-4
• DSSTox Substance ID: DTXSID30873143
• Nikkaji Number: J73.718F
• Mol file: 4384-07-0.mol

Synonyms:2-Isopropyl-5-methylhexanoic acid;4384-07-0;alpha,gamma-Diisopropylbutyric acid;2,4-Di-isopropylbuttersaeure [German];BRN 1757972;2,4-Di-isopropylbuttersaeure;3-Heptanecarboxylic acid, 2,6-dimethyl-;2-(1'-Methylpropylcapronsaeure) [German];HEXANOIC ACID, 2-ISOPROPYL-5-METHYL-;2-(1'-Methylpropylcapronsaeure);Hexanoic acid, 5-methyl-2-(1-methylethyl)-;4-02-00-01067 (Beilstein Handbook Reference);5-methyl-2-propan-2-ylhexanoic acid;SCHEMBL1572883;DTXSID30873143;ZOINHQMIOAPOSQ-UHFFFAOYSA-N;2-Isopropyl-5-methyl-hexanoic acid;5-Methyl-2-(propan-2-yl)hexanoic acid;BS-52892;LS-75329;F73185

Chemical Property of 2-Isopropyl-5-methylhexanoic acid

Chemical Property:

• Vapor Pressure: 0.0028mmHg at 25°C
• Boiling Point: 264.6°Cat760mmHg
• Flash Point: 120.6°C
• PSA: 37.30000
• Density: 0.909g/cm³
• LogP: 2.77940
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Isopropyl-5-methylhexanoic acid

There total 5 articles about 2-Isopropyl-5-methylhexanoic 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:

2.6-dimethyl-3-oxymethyl-heptane (66719-41-3) → 2-Isopropyl-5-methyl-hexansaeure (4384-07-0)

Guidance literature:

With potassium carbonate;

Reference yield:

2-isopropyl-5-methylhexan-1-ol (2051-33-4) → 2-Isopropyl-5-methyl-hexansaeure (4384-07-0)

Guidance literature:

With potassium permanganate; sulfuric acid;

Reference yield:

sodium isopentoxide (19533-24-5) → 2-Isopropyl-5-methyl-hexansaeure (4384-07-0)

Guidance literature:

at 180 - 190 ℃;

upstream raw materials:

2.6-dimethyl-3-oxymethyl-heptane

2-isopropyl-5-methylhexan-1-ol

sodium isopentoxide