4-Octyne

Base Information

• Chemical Name: 4-Octyne
• CAS No.: 1942-45-6
• Deprecated CAS: 1402855-94-0
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• Hs Code.: 29012990
• European Community (EC) Number: 217-730-2
• UNII: IJI0Q2V1Z6
• DSSTox Substance ID: DTXSID6074338
• Nikkaji Number: J124.819G
• Wikipedia: 4-Octyne
• Wikidata: Q230017
• Mol file: 1942-45-6.mol

Synonyms:4-OCTYNE;1942-45-6;Oct-4-yne;Dipropylacetylene;1,2-Dipropylacetylene;IJI0Q2V1Z6;EINECS 217-730-2;4-Octyne, 99%;UNII-IJI0Q2V1Z6;n-C3H7C.$.CC3H7;DTXSID6074338;MFCD00009471;AKOS015903071;FT-0619334;O0127;D91807;Q230017;J-802146

Chemical Property of 4-Octyne

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
• Vapor Pressure: 35 mm Hg ( 37.7 °C)
• Melting Point: -103 °C
• Refractive Index: n20/D 1.425(lit.)
• Boiling Point: 131.499 °C at 760 mmHg
• Flash Point: 29.444 °C
• PSA: 0.00000
• Density: 0.751 g/mL at 25 °C(lit.)
• LogP: 2.59000
• Storage Temp.: 0-6°C
• Water Solubility.: Sparingly soluble in water( 29.1 mg/L).
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 79.1

Purity/Quality:

98%min ^*data from raw suppliers

4-Octyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-36/37/38-65
• Safety Statements: 26-62

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC#CCCC
• Uses: 4-Octyne is a useful compound in organic synthesis.

Technology Process of 4-Octyne

There total 26 articles about 4-Octyne 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: 100.0%

(4E)-4,5-diiodo-4-octene (124471-41-6) → 4-Octyne (1942-45-6)

Guidance literature:

With pyrrolidine; for 15h; Sonication;

DOI:10.1021/ja2073752

Reference yield: 89.0%

4,5-bis(5-thianthreniumyl)-4-octene ditetrafluoroborate → 4-Octyne (1942-45-6) + Thianthrene (92-85-3)

Guidance literature:

With potassium iodide; In acetonitrile; for 0.75h;

DOI:10.1021/jo050198b

Reference yield: 72.2%

(Z)-4-Chloro-4-octene (7321-48-4) → 4-Octyne (1942-45-6)

Guidance literature:

With potassium hydroxide; In ethylene glycol; at 150 - 155 ℃;

upstream raw materials:

meso-4,5-dibromooctane

sodium acetylide

propyl bromide

ethylmagnesium iodide

Downstream raw materials:

octan-4-one

trans-4-Octene

4,4-difluorooctane

(Z)-oct-4-ene