4-Ethyl-1-octyn-3-ol

Base Information

• Chemical Name: 4-Ethyl-1-octyn-3-ol
• CAS No.: 5877-42-9
• Molecular Formula: C10H18O
• Molecular Weight: 154.252
• Hs Code.: 2905299090
• European Community (EC) Number: 227-545-9
• NSC Number: 62119
• UNII: L1LYK1CE9P
• DSSTox Substance ID: DTXSID1044697
• Nikkaji Number: J129.404K
• Wikidata: Q27282598
• Mol file: 5877-42-9.mol

Synonyms:4-Ethyl-1-octyn-3-ol;4-Ethyloct-1-yn-3-ol;5877-42-9;1-Octyn-3-ol, 4-ethyl-;Ethyloctynol;4-Ethyl-1-octyn-3-0l;4-Ethyl-3-hydroxy-1-octyne;(2-Ethyl-1-hydroxyhexyl)acetylene;EINECS 227-545-9;UNII-L1LYK1CE9P;NSC 62119;L1LYK1CE9P;1-Octyne-3-ol, 4-ethyl-;DTXSID1044697;NSC-62119;Etiloctinol;NSC62119;4-etil-1-octyn 3-ol;4-etil-3-hidroxi-1-octino;1-Octin-3-ol, 4-etil-;SCHEMBL179938;DTXCID9024697;Tox21_301468;MFCD00015262;AKOS006229979;NCGC00256162-01;LS-98168;CAS-5877-42-9;CS-0077154;E0270;FT-0694708;A869369;Q27282598

Chemical Property of 4-Ethyl-1-octyn-3-ol

Chemical Property:

• Appearance/Colour: colorless to slightly yellow liquid
• Vapor Pressure: 0.0923mmHg at 25°C
• Melting Point: 1.9°C (estimate)
• Refractive Index: 1.455
• Boiling Point: 198.2 °C at 760 mmHg
• PKA: 13.09±0.20(Predicted)
• Flash Point: 76 °C
• PSA: 20.23000
• Density: 0.878 g/cm³
• LogP: 2.19690
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Ethyl-1-octyn-3-ol >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(C#C)O

Technology Process of 4-Ethyl-1-octyn-3-ol

There total 3 articles about 4-Ethyl-1-octyn-3-ol 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: 97.0%

d,l-2-ethylhexanal (123-05-7) + acetylene (74-86-2,25067-58-7) → 4-ethyl-1-octyn-3-ol (5877-42-9)

Guidance literature:

d,l-2-ethylhexanal; acetylene; With ammonia; potassium methanolate; In methanol; water; at 34 - 38 ℃; for 0.508333h; under 15001.5 Torr;

With carbon dioxide; water; at 75 ℃; Product distribution / selectivity;

Reference yield: 56.0%

d,l-2-ethylhexanal (123-05-7) + calcium carbide (75-20-7) → 4-ethyl-1-octyn-3-ol (5877-42-9)

Guidance literature:

With caesium carbonate; In water; dimethyl sulfoxide; at 60 ℃; for 8h; Inert atmosphere; Green chemistry;

DOI:10.1039/c3gc41269e

Reference yield:

d,l-2-ethylhexanal (123-05-7) + sodium acetylide (1066-26-8) → 4-ethyl-1-octyn-3-ol (5877-42-9)

Guidance literature:

With diethyl ether; ammonia;

upstream raw materials:

d,l-2-ethylhexanal

sodium acetylide

acetylene

calcium carbide

Downstream raw materials:

4-ethyl-1-phenyl-1-octyn-3-ol

4-ethyloctan-3-ol

4-ethyloct-1-en-3-ol

N-(p-tolylsulfonyl)-7-ethyl-undeca-4,5-dienylamine

Refernces

• 1、 -. "METHOD FOR PRODUCING A PROPARGYL ALCOHOL AND AN ALLYL ALCOHOL". Page/Page column 8. . Retrieved 2008/06/13.