3-Octyne

Base Information

• Chemical Name: 3-Octyne
• CAS No.: 15232-76-5
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• Hs Code.: 29012990
• European Community (EC) Number: 239-280-6
• DSSTox Substance ID: DTXSID60871238
• Nikkaji Number: J125.194E
• Wikidata: Q15718384
• Mol file: 15232-76-5.mol

Synonyms:3-Octyne;15232-76-5;Oct-3-yne;Butylethylacetylene;EINECS 239-280-6;Ethylbutylacetylene;1-Ethyl-2-butylacetylene;C20H24N3O.CHO2;C4H9C.$.CC2H5;UDEISTCPVNLKRJ-UHFFFAOYSA-;DTXSID60871238;MFCD00027276;AKOS015842687;C20-H24-N3-O.C-H-O2;FT-0616291;O0126;D91806;Q15718384

Chemical Property of 3-Octyne

Chemical Property:

• Vapor Pressure: 10.6mmHg at 25°C
• Melting Point: -104°C
• Refractive Index: 1.4230 to 1.4260
• Boiling Point: 131-133°C
• Flash Point: 22°C
• PSA: 0.00000
• Density: 0.765g/cm³
• LogP: 2.59000
• 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: 89.1

Purity/Quality:

98% ^*data from raw suppliers

3-Octyne >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38-65
• Safety Statements: 3/7-9-26-33-37-62-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC#CCC

Technology Process of 3-Octyne

There total 13 articles about 3-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:

(E)-3-octene (14919-01-8) + bromine (7726-95-6) + methyl cyclohexane (82166-21-0) → oct-2-yne (2809-67-8) + oct-3-yne (15232-76-5)

Guidance literature:

at -70 ℃; und anschliessend mit Natriumamid und fluessigem Ammoniak bei -70grad;

DOI:10.1021/jo01377a003

Reference yield:

(E)-3-octene (14919-01-8) → oct-3-yne (15232-76-5)

Guidance literature:

With bromine; methyl cyclohexane; at -70 ℃; und anschliessend mit Natriumamid und fluessigem Ammoniak bei -70grad;

DOI:10.1021/jo01377a003

Reference yield:

diethyl sulfate (64-67-5) + sodium butylacetylide (42332-01-4) → oct-3-yne (15232-76-5)

Guidance literature:

With ammonia; at -34 ℃;

DOI:10.1021/ja01219a033

upstream raw materials:

1-bromo-butane

sodium acetylide

diethyl sulfate

sodium butylacetylide

Downstream raw materials:

cis-3-octene

(E)-3-octene

n-octyne

(E)-3-Methyl-3-octen

Refernces

• 1、 Cum, Giampietro,Gallo, Raffaele,Ipsale, Salvatore,Spadaro, Agatino. "Selective Synthesis of Alkynes by Catalytic Dehydrogenation of Alkenes over Polymer-supported Palladium Acetate in the Liquid Phase". . p. 1571 - 1573. Retrieved 2007/10/02.