1-Eicosene

Base Information

• Chemical Name: 1-Eicosene
• CAS No.: 3452-07-1
• Molecular Formula: C20H40
• Molecular Weight: 280.538
• Hs Code.: 2901299090
• European Community (EC) Number: 222-374-6
• NSC Number: 77138
• UNII: 6BHH7ZD637
• DSSTox Substance ID: DTXSID1029257
• Nikkaji Number: J43.535J
• Wikidata: Q2419305
• Metabolomics Workbench ID: 5012
• Mol file: 3452-07-1.mol

Synonyms:alpha-eicosene

Chemical Property of 1-Eicosene

Chemical Property:

• Appearance/Colour: colorless crystals
• Vapor Pressure: 0.000166mmHg at 25°C
• Melting Point: 26-30 °C(lit.)
• Refractive Index: 1.446
• Boiling Point: 340.8 °C at 760 mmHg
• Flash Point: 174.8 °C
• PSA: 0.00000
• Density: 0.792 g/cm³
• LogP: 7.82400
• Storage Temp.: room temp
• Solubility.: chloroform: soluble5%, clear, colorless
• Water Solubility.: 0.000535ug/L(23 oC)
• XLogP3: 11.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 17
• Exact Mass: 280.313001276
• Heavy Atom Count: 20
• Complexity: 171

Purity/Quality:

99.9% ^*data from raw suppliers

1-Eicosene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCCCCCCCCCCCCCCCCCC=C
• Uses: 1-Eicosene is one of the substances used in the in vitro antimicrobial activity of essential oil of Swertia cordata aerial parts, elucidating the chemical compositions and the biological activities of the essential oil from leaves of Moringa Oleifera, preparation of tobacco flavors from Sophora Japonica L. by biological methods. 1-Eicosene was used in the synthesis of (Z)-tetracos-5-enoic acid and racemic cis-4-(2-octadecylcyclopropane-1-yl)-butanoic acid.

Technology Process of 1-Eicosene

There total 15 articles about 1-Eicosene 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: 95.0%

1,2-epoxy-eicosane (19780-16-6) → 1-Eicosene (3452-07-1)

Guidance literature:

With triphenylphosphine hydrogen iodide; triphenylphospine diiodide; In hexane; benzene; 1.) 24 h, 0 deg C, 2.) 24 h, room temp.;

DOI:10.1055/s-1980-29224

Reference yield: 70.0%

1,2-dibromoeicosane (197505-36-5) → 1-Eicosene (3452-07-1)

Guidance literature:

With aluminium; nickel dichloride; In tetrahydrofuran;

Reference yield:

ethene (74-85-1) → 1-dodecene (112-41-4,25067-08-7,62132-67-6) + oct-1-ene (111-66-0,25068-25-1) + 1-Hexadecene (629-73-2) + 1-Eicosene (3452-07-1)

Guidance literature:

With MAO; N,N-bis(1H-benzimidazol-2-ylmethyl)-N-methylamine Cr(III)Cl₃; In toluene; at 50 ℃; for 1h; under 3000.24 Torr; Further Variations:; Catalysts; Pressures; Product distribution;

DOI:10.1021/ja0615369

upstream raw materials:

1,2-dibromoethyl ethyl ether

1-octadecylmagnesium bromide

1,2-epoxy-eicosane

1-iodo-10-undecene

Downstream raw materials:

(dl)-1,2-dihydroxyeicosane

4-nitrophenyl (2-(octadecyloxy)icosyl)carbonate

tricosan-2-one

(2R,3E)-methyl 22-(4-tert-butyldiphenylsiloxyphenyl)-2,4-dimethyldocos-3-enoate

Refernces

• 1、 -. "ESTERIFICATION OF CARBOXYLIC ACIDS WITH OLEFINS USING A ZEOLITIC MATERIAL HAVING A BEA-TYPE FRAMEWORK STRUCTURE". Page/Page column 45; 46; 47. . Retrieved 2019/08/08.
• 2、 Font, Rafael,Aracil, Ignacio,Fullana, Andrés,Conesa, Juan A.. "Semivolatile and volatile compounds in combustion of polyethylene". . p. 615 - 627. Retrieved 2007/10/03.