4-Hexen-1-YN-3-one

Base Information

• Chemical Name: 4-Hexen-1-YN-3-one
• CAS No.: 13061-80-8
• Molecular Formula: C₆H₆O
• Molecular Weight: 94.113
• Hs Code.: 2914190090
• DSSTox Substance ID: DTXSID601030260
• Nikkaji Number: J1.168.568D,J36.848B
• Wikidata: Q76325385
• Mol file: 13061-80-8.mol

Synonyms:4-HEXEN-1-YN-3-ONE;13061-80-8;4-Hexene-1-yne-3-one;BRN 1739154;(E)-hex-4-en-1-yn-3-one;3-01-00-03063 (Beilstein Handbook Reference);hex-4-en-1-yn-3-one;[(E)-1-Propenyl]ethynyl ketone;DTXSID601030260;LS-75643

Chemical Property of 4-Hexen-1-YN-3-one

Chemical Property:

• Vapor Pressure: 12.4mmHg at 25°C
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 125.1°Cat760mmHg
• Flash Point: 36.9°C
• PSA: 17.07000
• Density: 0.921g/cm³
• LogP: 0.76480
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 94.041864811
• Heavy Atom Count: 7
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)C#C
• Isomeric SMILES: C/C=C/C(=O)C#C

Technology Process of 4-Hexen-1-YN-3-one

There total 2 articles about 4-Hexen-1-YN-3-one 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:

hex-4-en-1-yn-3-ol (59095-52-2,133398-16-0,133398-15-9,10138-60-0) → hex-4-en-1-yn-3-one (13061-80-8)

Guidance literature:

With manganese(IV) oxide; In chloroform; for 1h; Heating;

Reference yield:

→ hex-4-en-1-yn-3-one (13061-80-8)

Guidance literature:

With chromium(III) oxide; sulfuric acid; acetone; at 5 ℃;

DOI:10.1039/jr9460000052

Reference yield:

hex-4-en-1-yn-3-one (13061-80-8) → hex-4-ene-2,3-dione (19248-36-3)

Guidance literature:

With sulfuric acid; mercury(II) sulfate;

DOI:10.1039/jr9640002187

upstream raw materials:

hex-4-en-1-yn-3-ol

Downstream raw materials:

hex-4-ene-2,3-dione

1-(3-phenyl-isoxazol-5-yl)-but-2-en-1-one

1-(dimethylamino)hex-1-en-3-one