1-Pentacontanol

Base Information

• Chemical Name: 1-Pentacontanol
• CAS No.: 40710-43-8
• Molecular Formula: C50H102O
• Molecular Weight: 719.359
• UNII: RJ0ZGV102N
• DSSTox Substance ID: DTXSID90193697
• Nikkaji Number: J119.358I
• Wikidata: Q27288140
• Mol file: 40710-43-8.mol

Synonyms:1-Pentacontanol;Acalyphol;N-Pentacontanol;pentacontan-1-ol;UNII-RJ0ZGV102N;40710-43-8;RJ0ZGV102N;HO(CH2)50H;SCHEMBL5497044;DTXSID90193697;FT-0701124;Q27288140

Chemical Property of 1-Pentacontanol

Chemical Property:

• PSA: 20.23000
• LogP: 18.72340
• XLogP3: 25.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 48
• Exact Mass: 718.79306787
• Heavy Atom Count: 51
• Complexity: 557

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

Technology Process of 1-Pentacontanol

There total 6 articles about 1-Pentacontanol 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:

pentacontanoic acid propyl ester (40710-39-2) → pentacontan-1-ol (40710-43-8)

Guidance literature:

With copper oxide-chromium oxide; at 250 ℃; under 110326 Torr; Hydrogenation;

Reference yield:

1-iodo-hentriacontane (57094-91-4) → pentacontan-1-ol (40710-43-8)

Guidance literature:

Multi-step reaction with 3 steps

1: pentan-2-one; potassium carbonate / Erwaermen des Reaktionsprodukts in Benzol mit wss.-methanol. Kalilauge

2: amalgamated zinc; hydrogen chloride

3: copper oxide-chromium oxide / 250 °C / 110326 Torr / Hydrogenation

With hydrogenchloride; amalgamated zinc; copper oxide-chromium oxide; potassium carbonate; 2-Pentanone;

Reference yield:

hentriacontanol (544-86-5) → pentacontan-1-ol (40710-43-8)

Guidance literature:

Multi-step reaction with 4 steps

1: iodine; phosphorus

2: pentan-2-one; potassium carbonate / Erwaermen des Reaktionsprodukts in Benzol mit wss.-methanol. Kalilauge

3: amalgamated zinc; hydrogen chloride

4: copper oxide-chromium oxide / 250 °C / 110326 Torr / Hydrogenation

With hydrogenchloride; phosphorus; amalgamated zinc; copper oxide-chromium oxide; iodine; potassium carbonate; 2-Pentanone;

upstream raw materials:

pentacontanoic acid propyl ester

1-iodo-hentriacontane

hentriacontanol

1-hentriacontanoic acid

Downstream raw materials:

hectane