Nonacosanoic acid

Base Information

• Chemical Name: Nonacosanoic acid
• CAS No.: 4250-38-8
• Molecular Formula: C29H58O2
• Molecular Weight: 438.778
• Hs Code.: 2915900090
• European Community (EC) Number: 224-210-9
• UNII: PD7M4BT88J
• DSSTox Substance ID: DTXSID60195284
• Nikkaji Number: J97.996A
• Wikipedia: Nonacosylic_acid
• Wikidata: Q15425769
• Metabolomics Workbench ID: 50
• Mol file: 4250-38-8.mol

Synonyms:NONACOSANOIC ACID;4250-38-8;NONACOSANOICACID;nonacosylic acid;nonacosanoate;n-Nonacosanoic acid;UNII-PD7M4BT88J;PD7M4BT88J;EINECS 224-210-9;C29:0;n-Nonacosanoate;LMFA01010029;C28H57COOH;SCHEMBL2053632;CHEBI:84867;DTXSID60195284;C29H58O2;MFCD00057830;AKOS015839874;FA 29:0;HY-W127481;AS-56891;CS-0185709;FT-0754506;N0662;T72463;Q15425769;C3835646-6D3D-4B9E-9E22-E3B396F10F87

Chemical Property of Nonacosanoic acid

Chemical Property:

• Vapor Pressure: 2.25E-08mmHg at 25°C
• Melting Point: 69oC
• Boiling Point: 436°Cat760mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 194.7°C
• PSA: 37.30000
• Density: 0.874g/cm³
• LogP: 10.62360
• Storage Temp.: 2-8°C
• Solubility.: within almost transparency in hot Toluene
• XLogP3: 13.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 27
• Exact Mass: 438.44368109
• Heavy Atom Count: 31
• Complexity: 340

Purity/Quality:

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

Nonacosanoic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• Uses: Nonacosanoic Acid (cas# 4250-38-8) is a useful analytical reagent for studying soil fatty acids.

Technology Process of Nonacosanoic acid

There total 14 articles about Nonacosanoic 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: 68.0%

1-triacontyne (61847-90-3) → n-nonacosanoic acid (4250-38-8)

Guidance literature:

With potassium permanganate; adogen 464; trialkylammonium chloride; acetic acid; In dichloromethane; water; for 12h; Heating;

DOI:10.1016/S0040-4020(01)85609-X

Reference yield:

nonacosanoic acid methyl ester (4082-55-7) → n-nonacosanoic acid (4250-38-8)

Guidance literature:

With barium dihydroxide; In methanol; benzene;

Reference yield:

1-diazo-2-oxononacosane (90670-24-9) → n-nonacosanoic acid (4250-38-8) + C58H114O3

Guidance literature:

With water; Yield given. Multistep reaction; 1) irradiation, CHCl₃, 14.5 deg C;

DOI:10.1021/ja00328a038

upstream raw materials:

1-iodo-heptacosane

octacosanol iodide

nonacosanoic acid methyl ester

1-triacontyne

Downstream raw materials:

C₃₅H₆₁NO₄

Refernces

• 1、 Brown, Herbert C.,Iyer, Ramakrishnan R.,Bhat, Narayan G.,Racherla, Uday S.,Brown, Charles A.. "Organoboranes for synthesis. 13. Simple, efficient syntheses of long-chain alcohols and carboxylic acids". . p. 9187 - 9194. Retrieved 2007/10/02.