8-Hexadecyne

Base Information

• Chemical Name: 8-Hexadecyne
• CAS No.: 19781-86-3
• Molecular Formula: C16H30
• Molecular Weight: 222.414
• Hs Code.: 2901299090
• European Community (EC) Number: 805-838-8
• DSSTox Substance ID: DTXSID80873097
• Nikkaji Number: J151.232C
• Wikidata: Q81978660
• Mol file: 19781-86-3.mol

Synonyms:8-Hexadecyne;19781-86-3;hexadec-8-yne;DTXSID80873097;MFCD00041664;AKOS015843240;FT-0711091;H0434;T72025

Chemical Property of 8-Hexadecyne

Chemical Property:

• Vapor Pressure: 0.00384mmHg at 25°C
• Melting Point: 17.51°C (estimate)
• Refractive Index: 1.4460-1.4490
• Boiling Point: 289.3°Cat760mmHg
• Flash Point: 124.5°C
• PSA: 0.00000
• Density: 0.805g/cm³
• LogP: 5.71080
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 222.234750957
• Heavy Atom Count: 16
• Complexity: 161

Purity/Quality:

98% ^*data from raw suppliers

8-Hexadecyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC#CCCCCCCC

Technology Process of 8-Hexadecyne

There total 1 articles about 8-Hexadecyne 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:

1-Bromoheptane (629-04-9) + sodium acetylide (1066-26-8) → hexadec-8-yne (19781-86-3)

Guidance literature:

With sodium amide; In ammonia;

DOI:10.1021/jo00986a012

Reference yield: 90.0%

hexadec-8-yne (19781-86-3) → Hexadecane (544-76-3)

Guidance literature:

hexadec-8-yne; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine; In 1,4-dioxane; at 20 ℃; for 0.25h; Inert atmosphere;

With formic acid; In 1,4-dioxane; at 80 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1021/ja2069246

Reference yield: 89.0%

hexadec-8-yne (19781-86-3) → Octanoic acid (124-07-2) + 8,9-dioxohexadecane (18229-29-3)

Guidance literature:

With potassium permanganate; iron(III) chloride; In acetone; at -78 ℃; for 15h;

DOI:10.1016/S0040-4020(02)01227-9

upstream raw materials:

1-Bromoheptane

sodium acetylide

Downstream raw materials:

Octanoic acid

8,9-dioxohexadecane

1,2-Diheptyl-cyclopropen

C₄₄H₇₀