Octacosanoic acid

Base Information

• Chemical Name: Octacosanoic acid
• CAS No.: 506-48-9
• Molecular Formula: C28H56O2
• Molecular Weight: 424.751
• Hs Code.: 2915900090
• European Community (EC) Number: 208-041-8
• NSC Number: 407311
• UNII: 4BKL1A0KJY
• DSSTox Substance ID: DTXSID2075051
• Nikkaji Number: J11.820F
• Wikipedia: Montanic_acid
• Wikidata: Q911196
• Metabolomics Workbench ID: 49
• ChEMBL ID: CHEMBL2261064
• Mol file: 506-48-9.mol

Synonyms:octacosanoic acid;octacosanoic acid, 1-2 calcium salt

Chemical Property of Octacosanoic acid

Chemical Property:

• Appearance/Colour: white fine crystalline powder
• Vapor Pressure: 3.55E-08mmHg at 25°C
• Melting Point: 91-93 °C(lit.)
• Refractive Index: 1.461
• Boiling Point: 430.5 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 192.5 °C
• PSA: 37.30000
• Density: 0.875 g/cm³
• LogP: 10.23350
• Storage Temp.: 2-8°C
• Solubility.: chloroform: soluble50mg/mL, clear, colorless
• XLogP3: 12.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 26
• Exact Mass: 424.42803102
• Heavy Atom Count: 30
• Complexity: 327

Purity/Quality:

98% ^*data from raw suppliers

Octacosanoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• Uses: Octacosanoic Acid (cas# 506-48-9) is a useful lubricant compound for preparing flame-retardant and antibacterial sound-insulating tape.

Technology Process of Octacosanoic acid

There total 24 articles about Octacosanoic 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: 96.0%

10-octacosenoic acid → octacosanoic acid (506-48-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 45 ℃; for 6h; under 19001.3 Torr;

Reference yield:

13-Keto-octacosansaeure (119696-25-2) → octacosanoic acid (506-48-9)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; In ethylene glycol;

DOI:10.1246/bcsj.34.398

Reference yield:

Hexadecanoyl chloride; hydrochloride → octacosanoic acid (506-48-9)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaOEt, benzene, (ii) /BRN= 5795609/, (iii) H₂, Pd-C, Pd-SrCO₃, AcOEt, EtOH

2: N₂H₄*H₂O, NaOH / ethane-1,2-diol

With sodium hydroxide; hydrazine hydrate; In ethylene glycol;

DOI:10.1246/bcsj.34.398

upstream raw materials:

sebacic acid mono methyl ester

Arachidic acid

octacosyl alcohol

10-oxo-octacosanoic acid

Downstream raw materials:

methyl octacosanoate

phenyl 4-O-benzyl-6-O-{4,6-O-benzylidene-3-O-[(R)-3-benzyloxy-hexadecanoyl]-2-deoxy-2-[(R)-3-octacosanoyloxy-hexadecan]amido-β-D-glucopyranosyl}-2-[(R)-3-benzyloxy-hexadecan]amido-3-O-[(R)-3-benzyloxy-hexadecanoyl]-2-deoxy-1-thio-α-D-glucopyranoside

2,3-dihydroxypropyl octacosanoate

phenyl 2-amino-4-O-benzyl-6-O-{4,6-O-benzylidene-2-deoxy-2-[(R)-3-octacosanoyloxy-hexadecan]amido-β-D-glucopyranosyl}-2-deoxy-1-thio-α-D-glucopyranoside

Refernces

• 1、 -. "A PROCESS FOR PREPARING LONG CHAIN SATURATED OR UNSATURATED OXYGENATED COMPOUNDS". Page 15-16. . Retrieved 2008/06/13.
• 2、 Kondo,Takemoto. "A new diglyceride from root barks of Morus alba L.". . p. 2265 - 2267. Retrieved 2007/10/05.