2H-Pyran-2-one, tetrahydro-6-tridecyl-

Base Information

• Chemical Name: 2H-Pyran-2-one, tetrahydro-6-tridecyl-
• CAS No.: 1227-51-6
• Molecular Formula: C18H34O2
• Molecular Weight: 282.467
• Hs Code.: 2932999099
• UNII: ILR1UO4M14
• DSSTox Substance ID: DTXSID40924236
• Nikkaji Number: J109.821G
• Wikidata: Q27280781
• Mol file: 1227-51-6.mol

Synonyms:6-tridecyloxan-2-one;1227-51-6;2H-Pyran-2-one, tetrahydro-6-tridecyl-;delta-Stearolactone;delta-Octadecalactone;6-Tridecyltetrahydro-2H-pyran-2-one;5-Octadecanolide;FEMA No. 4447;Octadecanoic acid, 5-hydroxy-, .delta.-lactone;UNII-ILR1UO4M14;(+-)-delta-Octadecalactone;ILR1UO4M14;delta-Octadecalactone, (+-)-;Octadecanoic acid, 5-hydroxy-, delta-lactone;.DELTA.-STEAROLACTONE;.DELTA.-OCTADECALACTONE;SCHEMBL1254547;DTXSID40924236;(+/-)-.DELTA.-OCTADECALACTONE;6-Tridecyltetrahydro-2H-pyran-2-one #;.DELTA.-OCTADECALACTONE, (+/-)-;Q27280781

Chemical Property of 2H-Pyran-2-one, tetrahydro-6-tridecyl-

Chemical Property:

• Vapor Pressure: 7.72E-06mmHg at 25°C
• Melting Point: 38-39 °C
• Boiling Point: 375.5oC at 760 mmHg
• Flash Point: 157.5oC
• PSA: 26.30000
• Density: 0.902g/cm3
• LogP: 5.78320
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 282.255880323
• Heavy Atom Count: 20
• Complexity: 238

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC1CCCC(=O)O1

Technology Process of 2H-Pyran-2-one, tetrahydro-6-tridecyl-

There total 8 articles about 2H-Pyran-2-one, tetrahydro-6-tridecyl- 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: 46.0%

5-hydroxyoctadecanenitrile → octadecanoic acid, 5-hydroxy-,delta-lactone (1227-51-6) + 2-pentadecanol (1653-34-5)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1023/A:1021088807149

Reference yield: 17.0%

1-dodecylbromide (143-15-7) + cyclohexane-1,2-dione (765-87-7) → octadecanoic acid, 5-hydroxy-,delta-lactone (1227-51-6)

Guidance literature:

1-dodecylbromide; cyclohexane-1,2-dione; With potassium hydroxide; In 1,4-dioxane; for 20h; Heating;

With sodium carbonate; for 30h; Heating;

With potassium hydroxide; sodium tetrahydroborate; at 40 ℃; for 8h; Further stages.;

DOI:10.1021/jf0721545

Reference yield:

5-oxo-octadecanoic acid (16694-31-8) → octadecanoic acid, 5-hydroxy-,delta-lactone (1227-51-6)

Guidance literature:

With sodium tetrahydroborate; sodium hydroxide; In ethanol; at 30 - 35 ℃; for 3h; Cooling with ice;

upstream raw materials:

cis-Octadecenoic acid

1-dodecylbromide

cyclohexane-1,2-dione

1-pentadecene

Downstream raw materials:

N-Benzyl-5-hydroxy-octadecanamid