Oxacyclohexadec-13-en-2-one, (13Z)-

Base Information

• Chemical Name: Oxacyclohexadec-13-en-2-one, (13Z)-
• CAS No.: 111879-81-3
• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37
• European Community (EC) Number: 225-584-6
• UNII: 901RRX51A5
• Nikkaji Number: J203.201E
• Wikidata: Q27271264
• Mol file: 111879-81-3.mol

Synonyms:901RRX51A5;Oxacyclohexadecen-2-one, (13Z)-;Oxacyclohexadec-13-en-2-one, (13Z)-;UNII-901RRX51A5;111879-81-3;4941-78-0;(e)-12-pentadecen-15-olide;Oxacyclohexadeca-13-ene-2-one;SCHEMBL3818356;(13Z)-oxacyclohexadecen-2-one;OXACYCLOHEXADECENONE, (13Z)-;15-PENTADECENOLIDE, (12Z)-;Q27271264

Chemical Property of Oxacyclohexadec-13-en-2-one, (13Z)-

Chemical Property:

• Vapor Pressure: 4.31E-06mmHg at 25°C
• Boiling Point: 383.7°C at 760 mmHg
• Flash Point: 161.2°C
• Density: 0.9g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 221

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCCCC(=O)OCCC=CCCCC1
• Isomeric SMILES: C1CCCCCC(=O)OCC/C=C\CCCC1

Technology Process of Oxacyclohexadec-13-en-2-one, (13Z)-

There total 3 articles about Oxacyclohexadec-13-en-2-one, (13Z)- 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-hydroperoxy-16-oxabicyclo[10.4.0]hexadecane (174390-08-0,32539-80-3) → trans-pentadec-12-en-15-olide (111879-81-3) + trans-pentadec-12-en-15-olide (111879-81-3) + habanolide (111879-80-2,423773-57-3) + (6Z)-2-oxa-6-cyclohexadecen-1-one (111879-79-9,423773-57-3)

Guidance literature:

With copper(II) stearate; In toluene; at 100 ℃; for 1.33333h;

Reference yield:

1-hydroperoxy-16-oxabicyclo[10.4.0]hexadecane (174390-08-0,32539-80-3) → trans-pentadec-12-en-15-olide (111879-81-3) + trans-pentadec-12-en-15-olide (111879-81-3) + habanolide (111879-80-2,423773-57-3) + (6Z)-2-oxa-6-cyclohexadecen-1-one (111879-79-9,423773-57-3)

Guidance literature:

With copper(II) stearate; In toluene; at 100 ℃; for 1.33333h;

Reference yield:

1-hydroperoxy-16-oxabicyclo[10.4.0]hexadecane (174390-08-0,32539-80-3) → pentadecanolide (106-02-5,81031-90-5) + 12-pentadecen-15-olide (4941-78-0,111879-81-3) + oxacyclohexadec-13-en-2-one (32539-78-9,423773-57-3)

Guidance literature:

With sodium hydroxide; copper diacetate; In polydiol; water; propionic acid; at 90 ℃; for 3h; Product distribution / selectivity;

upstream raw materials:

1-hydroperoxy-16-oxabicyclo[10.4.0]hexadecane