8-Methylnonanoic acid

Base Information

• Chemical Name: 8-Methylnonanoic acid
• CAS No.: 5963-14-4
• Deprecated CAS: 28933-59-7,59139-37-6,59139-37-6
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• Hs Code.: 29159000
• European Community (EC) Number: 247-673-9,680-572-1
• UNII: LW5786QCKT,YL95S7AP4Z
• DSSTox Substance ID: DTXSID1067207
• Nikkaji Number: J3.153.052K
• Wikidata: Q27283214
• Metabolomics Workbench ID: 305
• Mol file: 5963-14-4.mol

Synonyms:8-Methylnonanoic acid;5963-14-4;Isodecanoic acid;isocapric acid;26403-17-8;8-methyl-nonanoic acid;Nonanoic acid, 8-methyl-;LW5786QCKT;YL95S7AP4Z;UNII-LW5786QCKT;Versatic acid;EINECS 247-673-9;LMFA01020247;MFCD00044086;CEKANOIC ACID;8-methyl Nonanoic Acid;AI3-05976;CEKANOIC C10 ACID;UNII-YL95S7AP4Z;SCHEMBL633844;DTXSID1067207;CHEBI:176811;AMY41999;AKOS016845711;AT35562;HY-W127524;PD020798;CS-0185751;FT-0621570;EN300-7366555;J-519465;W-110658;Q27283214

Chemical Property of 8-Methylnonanoic acid

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.00178mmHg at 25°C
• Melting Point: 15-19 °C
• Refractive Index: 1.433-1.435
• Boiling Point: 271.6 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 142.3 °C
• PSA: 37.30000
• Density: 0.913 g/cm³
• LogP: 3.06760
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 119

Purity/Quality:

98%,99%, ^*data from raw suppliers

IsocapricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: CC(C)CCCCCCC(=O)O
• Uses: Intermediate for metal salts, ester type lubricants, plasticizers. Isocapric Acid, can be used for terminal chain branching in fatty alcohols and acids, which has shown to enhance the transdermal permeation. It can also be used for the synthesis of the novel bacterial fatty acid 16-methyl-8(Z)-heptadecenoic Acid.

Technology Process of 8-Methylnonanoic acid

There total 1 articles about 8-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:

8-methyl-4,7-dioxo-nonanoic acid (99182-10-2) → 8-methylnonanoic acid (5963-14-4) + methylbutane (78-78-4) + valeric acid (109-52-4)

Guidance literature:

Elektochemische Reduktion an einer Blei-Kathode;

Reference yield: 95.4%

8-methylnonanoic acid (5963-14-4) + 3-Guaiacylpropanol (2305-13-7) → 8-methylnonanoic acid 3-(4-hydroxy-3-methoxyphenyl)propyl ester (951221-75-3)

Guidance literature:

novozyme 435; at 50 ℃; for 16h; Enzymatic reaction; Neat (no solvent);

Reference yield: 93.2%

8-methylnonanoic acid (5963-14-4) + homovanillyl alcohol (2380-78-1) → 8-methylnonanoic acid 2-(4-hydroxy-3-methoxyphenyl)ethyl ester (951221-74-2)

Guidance literature:

novozyme 435; at 50 ℃; for 16h; Enzymatic reaction; Neat (no solvent);

upstream raw materials:

8-methyl-4,7-dioxo-nonanoic acid

Downstream raw materials:

16-methylheptadecanoic acid

8-methylnonanoic acid methyl ester

dihydrocapsaicin

isostearyl Alcohol