6-Octyltetrahydro-2H-pyran-2-one

Base Information

• Chemical Name: 6-Octyltetrahydro-2H-pyran-2-one
• CAS No.: 7370-92-5
• Molecular Formula: C13H24O2
• Molecular Weight: 212.332
• Hs Code.: 2932999099
• European Community (EC) Number: 230-927-8
• UNII: WP2V9305A9
• DSSTox Substance ID: DTXSID00864048
• Nikkaji Number: J212.372J
• Mol file: 7370-92-5.mol

Synonyms:7370-92-5;delta-Tridecanolactone;6-octyloxan-2-one;delta-Tridecalactone;6-Octyltetrahydro-2H-pyran-2-one;5-tridecanolide;2H-Pyran-2-one, tetrahydro-6-octyl-;.delta.-Tridecalactone;Tetrahydro-6-octyl-2H-pyran-2-one;WP2V9305A9;EINECS 230-927-8;Delta-Trideclactone;TRIDECA-1,5-LACTONE;UNII-WP2V9305A9;DELTA-OCTYLVALEROLACTONE;SCHEMBL1132969;.DELTA.-TRIDECANOLACTONE;FEMA NO. 4685;DTXSID00864048;CHEBI:183496;delta-Tridecalactone, >=95%, FG;MFCD00083590;2H-Pyran-2-one, tetrahydro-6-octyl;(R,S)-.DELTA.-TRIDECALACTONE;Tetrahydro-6-n-octyl-2H-pyran-2-one;BS-23514;.DELTA.-OCTYL-.DELTA.-VALEROLACTONE;FT-0712525;T1349;6-Octyltetrahydro-2H-pyran-2-one, AldrichCPR;E78210;(+/-)-6-OCTYLTETRAHYDRO-2H-PYRAN-2-ONE;5-HYDROXYTRIDECANOIC ACID .DELTA.-LACTONE;TRIDECANOIC ACID, 5-HYDROXY-, .DELTA.-LACTONE

Chemical Property of 6-Octyltetrahydro-2H-pyran-2-one

Chemical Property:

• Vapor Pressure: 0.000654mmHg at 25°C
• Melting Point: 42-43 °C
• Refractive Index: 1.4600 to 1.4620
• Boiling Point: 160ºC / 2mmHg
• Flash Point: 126.5ºC
• PSA: 26.30000
• Density: 0.94
• LogP: 3.83270
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

delta-Tridecanolactone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1CCCC(=O)O1

Technology Process of 6-Octyltetrahydro-2H-pyran-2-one

There total 10 articles about 6-Octyltetrahydro-2H-pyran-2-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: 100.0%

5-octyl-5-oxopentanal (111183-87-0) → δ-tridecalactone (7370-92-5)

Guidance literature:

With samarium diiodide; diphenyldisulfane; In tetrahydrofuran; at 25 ℃; for 1h;

DOI:10.1021/jo016058t

Reference yield: 80.0%

2-octyl-cyclopentanone (40566-23-2) → δ-tridecalactone (7370-92-5)

Guidance literature:

With MoOBr₃; dihydrogen peroxide; acetic anhydride; acetic acid; at 50 - 70 ℃; for 6h;

Reference yield: 13.1%

5-hydroxytridecanethioamide → δ-tridecalactone (7370-92-5)

Guidance literature:

With Novozym 435 from Candida antarctica B; In diethyl ether; at 40 ℃; for 48h; Reagent/catalyst; Enzymatic reaction;

DOI:10.1515/hc-2019-0103

upstream raw materials:

2-octyl-cyclopentanone

5-octyl-5-oxopentanal

1-octyl-cyclopentene

1-octyl-cyclopentanol

Refernces

• 1、 -. "PROCESS FOR PRODUCING 2-ALKYLCYCLOALKANONE". Page/Page column 10. . Retrieved 2012/08/28.
• 2、 Abbasov,Alimardanov,Suleimanova. "Catalytic oxidation of alkyl- and cycloalkylcyclanones into lactones". . p. 621 - 626. Retrieved 2007/10/03.