Ethyl 7-oxododecanoate

Base Information

• Chemical Name: Ethyl 7-oxododecanoate
• CAS No.: 58262-36-5
• Molecular Formula: C₁₄H₂₆O₃
• Molecular Weight: 242.359
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID50557993
• Wikidata: Q82440088
• Mol file: 58262-36-5.mol

Synonyms:ETHYL 7-OXODODECANOATE;58262-36-5;MFCD01311675;ETHYL7-OXODODECANOATE;DTXSID50557993;AKOS016022962

Chemical Property of Ethyl 7-oxododecanoate

Chemical Property:

• Vapor Pressure: 0.000146mmHg at 25°C
• Boiling Point: 332.4°C at 760 mmHg
• Flash Point: 141.5°C
• PSA: 43.37000
• Density: 0.931g/cm³
• LogP: 3.64940
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 242.18819469
• Heavy Atom Count: 17
• Complexity: 212

Purity/Quality:

97% ^*data from raw suppliers

Ethyl7-oxododecanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)CCCCCC(=O)OCC

Technology Process of Ethyl 7-oxododecanoate

There total 2 articles about Ethyl 7-oxododecanoate 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:

7-ethoxy-7-oxoheptanoic acid (33018-91-6) → Ethyl 7-oxododecanoate (58262-36-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: 1.) Zn-Cu

With thionyl chloride; copper; zinc;

Reference yield:

ethyl 6-(chloroformyl)hexanoate (14794-32-2) + amyl iodide (628-17-1) → Ethyl 7-oxododecanoate (58262-36-5)

Guidance literature:

With copper; zinc; Multistep reaction;

Reference yield:

Ethyl 7-oxododecanoate (58262-36-5) → 7-oxododecanoic acid (54527-26-3)

Guidance literature:

hydrolyze;

upstream raw materials:

ethyl 6-(chloroformyl)hexanoate

amyl iodide

7-ethoxy-7-oxoheptanoic acid

Downstream raw materials:

7-oxododecanoic acid

7-Hydroxydodecanoic acid

Refernces