Octanoic anhydride

Base Information

• Chemical Name: Octanoic anhydride
• CAS No.: 623-66-5
• Molecular Formula: C16H30O3
• Molecular Weight: 270.412
• Hs Code.: 2915900090
• European Community (EC) Number: 210-806-6
• NSC Number: 57372
• DSSTox Substance ID: DTXSID70211363
• Nikkaji Number: J95.912J
• Wikidata: Q72497409
• Mol file: 623-66-5.mol

Synonyms:Octanoic anhydride;n-Caprylic Anhydride;623-66-5;octanoyl octanoate;n-Octanoic Anhydride;Octanoic acid, anhydride;Caprylic anhydride;octanoic acid anhydride;EINECS 210-806-6;AI3-06135;dioctanoic acid anhydride;NCIOpen2_002293;SCHEMBL62055;RAFYDKXYXRZODZ-UHFFFAOYSA-;DTXSID70211363;C16H30O3;NSC57372;MFCD00056161;NSC 57372;NSC-57372;AKOS027340219;CS-0152291;FT-0757073;O0035;D97468

Chemical Property of Octanoic anhydride

Chemical Property:

• Vapor Pressure: 0.00334mmHg at 25°C
• Melting Point: -1 °C
• Refractive Index: 1.444
• Boiling Point: 282.5 °C at 760 mmHg
• Flash Point: 142.4 °C
• PSA: 43.37000
• Density: 0.922 g/cm³
• LogP: 4.77720
• Storage Temp.: -20°C
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 270.21949481
• Heavy Atom Count: 19
• Complexity: 212

Purity/Quality:

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

N-Caprylicanhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC(=O)CCCCCCC

Technology Process of Octanoic anhydride

There total 15 articles about Octanoic anhydride 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: 88.0%

Octanoic acid (124-07-2) → octanoic acid anhydride (623-66-5)

Guidance literature:

With dicyclohexyl-carbodiimide; In tetrachloromethane; for 5h; Ambient temperature;

Reference yield: 25.0%

Octanal (124-13-0) → octanoic acid anhydride (623-66-5)

Guidance literature:

With oxygen; cobalt(II) chloride; In acetonitrile; at 25 ℃; for 15h;

DOI:10.1021/jo00072a041

Reference yield:

tert.-butylhydroperoxide (75-91-2) + 8,9-dioxohexadecane (18229-29-3) → Octanal (124-13-0) + Octanoic acid (124-07-2) + tert-butyl peroctoate (13467-82-8) + octanoic acid anhydride (623-66-5) + 9-Hydroxy-9-terc-butylperoxy-8-hexadecanone (139578-55-5)

Guidance literature:

In cyclohexane; at 23 ℃; Product distribution; Rate constant;

upstream raw materials:

Octanoic acid

acetic anhydride

tert.-butylhydroperoxide

8,9-dioxohexadecane

Downstream raw materials:

Octanoic acid 3-benzooxazol-2-yl-2-oxo-2H-chromen-7-yl ester

Octanoic acid

octanoic acid 3,7-dimethyl-2,6-octadienyl ester

neryl octanoate