1-Docosene

Base Information

• Chemical Name: 1-Docosene
• CAS No.: 1599-67-3
• Molecular Formula: C22H44
• Molecular Weight: 308.591
• Hs Code.: 2901299090
• European Community (EC) Number: 216-490-6
• NSC Number: 78486
• UNII: AAM97MY7YB
• DSSTox Substance ID: DTXSID5029219
• Nikkaji Number: J104.204A
• Wikidata: Q27157591
• Metabolomics Workbench ID: 5010
• Mol file: 1599-67-3.mol

Synonyms:1-Docosene;1599-67-3;docos-1-ene;Docosene;UNII-AAM97MY7YB;AAM97MY7YB;EINECS 216-490-6;NSC 78486;NSC-78486;AI3-36497;DTXSID5029219;CHEBI:84220;EC 216-490-6;Alkenes, C20-24 .alpha.-;>99%;DTXCID209219;BAA59967;NSC78486;LMFA11000312;MFCD00027085;AKOS028108465;AS-56237;CS-0213243;D1013;FT-0633694;D89761;Q27157591

Chemical Property of 1-Docosene

Chemical Property:

• Vapor Pressure: 3.44E-07mmHg at 25°C
• Melting Point: 65-72 °C(lit.)
• Refractive Index: 1.454
• Boiling Point: 364.6 °C at 760 mmHg
• Flash Point: 196.3 °C
• PSA: 0.00000
• Density: 0.797 g/cm³
• LogP: 8.60420
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Ethyl Acetate (Slightly)
• XLogP3: 12.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 19
• Exact Mass: 308.344301404
• Heavy Atom Count: 22
• Complexity: 194

Purity/Quality:

99.9% ^*data from raw suppliers

1-Docosene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCC=C
• Uses: Antiviral used in the treatment of herpes simplex labialis. 1-Docosene is a long-chain alkene and one of the lipophilic components of the aerial parts of the plant Origanum vulgare. A useful building block.

Technology Process of 1-Docosene

There total 11 articles about 1-Docosene 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: 39.0%

Tetraethylene glycol (112-60-7) + 1-Bromodocosane (6938-66-5) → 1-docosene (1599-67-3) + tetraethylene glycol monodocosyl ether (72659-42-8) + docosyl ether (77456-42-9) + tetraethylene glycol didocosyl ether (72659-43-9)

Guidance literature:

With sodium hydroxide; water; at 100 ℃; for 24h;

DOI:10.1021/jo01294a034

Reference yield:

1-docosanol (661-19-8) → 1-docosene (1599-67-3)

Guidance literature:

With phosphoric acid; at 300 - 310 ℃; under 12 Torr; ein Praeparat von fraglicher Einheitlichkeit ist erhalten worden;

Reference yield:

→ 1-docosene (1599-67-3)

Guidance literature:

With sulfuric acid; Ausfaellen der Schwefelsaeure mit Bariumhydroxyd und Destillieren des eingedampften Filtrats unter Zusatz von konz.Alkalilauge;

upstream raw materials:

1-docosanol

docosane-1,2-diol

Tetraethylene glycol

1-Bromodocosane

Downstream raw materials:

docosane-1,2-diol

heneicosanoic acid

n-docosane

tricyclohexyldocosyltin

Refernces

• 1、 Nunez, Alberto,Weiss, Richard G.. "Control of Norrish II Reactions of 2- and sym-Alkanones by the Ordered Solid Phases of Heneicosane". . p. 6215 - 6216. Retrieved 2007/10/02.