delta-Octalactone

Base Information

• Chemical Name: delta-Octalactone
• CAS No.: 698-76-0
• Deprecated CAS: 104426-32-6
• Molecular Formula: C8H14 O2
• Molecular Weight: 142.198
• Hs Code.: 2932999099
• European Community (EC) Number: 211-820-5
• UNII: 8AA944C37V
• DSSTox Substance ID: DTXSID5047164
• Nikkaji Number: J39.630C
• Wikipedia: Delta-Octalactone
• Wikidata: Q27270106
• Metabolomics Workbench ID: 4351
• ChEMBL ID: CHEMBL3182050
• Mol file: 698-76-0.mol

Synonyms:Delta-octalactone

Chemical Property of delta-Octalactone

Chemical Property:

• Appearance/Colour: colorless to pale yellow liquid
• Vapor Pressure: 0.0394mmHg at 25°C
• Melting Point: -14°C
• Refractive Index: 1.4550
• Boiling Point: 238°C
• Flash Point: 125°C
• PSA: 26.30000
• Density: 1,002 g/cm³
• LogP: 1.88220
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

δ-Octanolactone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: 36/37/38-36/38
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCCC(=O)O1
• Description: May be synthesized from 5-hydroxyoctanoic acid by reduction with NaBH4 in water; by microbiological reduction of the corresponding keto acid; from 5-hydroxyoctanoic methyl amide by alkaline saponification, using Ba(OH)2.
• Uses: delta-Octanolactone is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of delta-Octalactone

There total 10 articles about delta-Octalactone 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: 80.0%

5-Acetoxyoctannitril (89701-68-8) → 6-propyl-tetrahydro-pyran-2-one (698-76-0)

Guidance literature:

With sodium hydroxide; Heating;

Reference yield: 75.0%

2-propyl-1-cyclopentanone (1193-70-0) → 6-propyl-tetrahydro-pyran-2-one (698-76-0)

Guidance literature:

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

Reference yield: 63.0%

5-Acetoxyoctannitril (89701-68-8) → 6-propyl-tetrahydro-pyran-2-one (698-76-0) + gamma-octalactone (104-50-7)

Guidance literature:

With sulfuric acid; at 130 ℃; Yields of byproduct given;

upstream raw materials:

Octanoic acid

5-Acetoxyoctannitril

heptan-4-ol

carbon monoxide

Downstream raw materials:

δ-Acetoxy-octansaeuremethylester

n-pentyl methyl ketone

heptane-2,4-dione

3-hepten-2-one