1-Octacosanol

Base Information

• Chemical Name: 1-Octacosanol
• CAS No.: 557-61-9
• Molecular Formula: C28H58O
• Molecular Weight: 410.768
• Hs Code.: 29051990
• European Community (EC) Number: 209-181-2
• NSC Number: 57768,10770
• UNII: 81I2215OVK
• DSSTox Substance ID: DTXSID1025803
• Nikkaji Number: J10.708E
• Wikipedia: 1-Octacosanol
• Wikidata: Q3631024
• NCI Thesaurus Code: C87340
• Metabolomics Workbench ID: 3098
• ChEMBL ID: CHEMBL1951714
• Mol file: 557-61-9.mol

Synonyms:1-octacosanol;1-octacosanol, aluminum (1:3) salt;n-octacosanol;octacosanol;polycosanol

Chemical Property of 1-Octacosanol

Chemical Property:

• Appearance/Colour: white crystals or powder
• Vapor Pressure: 3.99E-09mmHg at 25°C
• Melting Point: 81-83 °C
• Refractive Index: 1.458
• Boiling Point: 428.1 °C at 760 mmHg
• PKA: 15.20±0.10(Predicted)
• Flash Point: 135.3 °C
• PSA: 20.23000
• Density: 0.841 g/cm³
• LogP: 10.14120
• Storage Temp.: 2-8°C
• Solubility.: Acetonitrile (Slightly, Heated), Benzene (Slightly, Heated), Chloroform (Slightl
• Water Solubility.: <0.1 g/100 mL at 21.5℃
• XLogP3: 13.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 26
• Exact Mass: 410.448766469
• Heavy Atom Count: 29
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Octacosanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
• Recent ClinicalTrials: Effects of Octacosanol During Taekwondo Training
• Uses: A 28-carbon primary fatty alcohol commonly found in the epicuticular waxes of plants. It has shown protective effects against parkonsonism and due to its excellent tolerability and non-toxicity, octacosanol may be a promising agent for PD treatment.

Technology Process of 1-Octacosanol

There total 34 articles about 1-Octacosanol 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: 97.0%

(E,Z)-octacos-10-en-1-ol (636583-59-0) → octacosyl alcohol (557-61-9)

Guidance literature:

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

Reference yield: 81.0%

benzyl 1-octacosanol → octacosyl alcohol (557-61-9)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In propan-1-ol; at 90 ℃; for 18h; under 3750.38 Torr;

Reference yield: 80.0%

benzyl octacos-10-enol → octacosyl alcohol (557-61-9)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In propan-1-ol; at 90 ℃; for 18h; under 3750.38 Torr;

upstream raw materials:

ethyl octacosanoate

methyl octacosanoate

sodium octacosanoate

Octacos-9-yn-1-ol

Downstream raw materials:

octacosanol acetate

n-nonacosanoic acid

1-bromo-octacosane

octacosanoic acid

Refernces

• 1、 Cravotto, Giancarlo,Calcio Gaudino, Emanuela,Barge, Alessandro,Binello, Arianna,Albertino, Andrea,Aghemo, Costanza. "Synthesis of 1-octacosanol and GC-C-IRMS discrimination of samples from different origin". experimental part. p. 428 - 439. Retrieved 2010/09/20.
• 2、 -. "PROCESS FOR THE PREPARATION OF ALIPHATIC PRIMARY ALCOHOLS AND INTERMEDIATES IN SUCH PROCESS". Page/Page column 14-15. . Retrieved 2010/02/11.