6-Oxo-6-propoxyhexanoic acid

Base Information

• Chemical Name: 6-Oxo-6-propoxyhexanoic acid
• CAS No.: 6939-72-6
• Molecular Formula: C9H16O4
• Molecular Weight: 188.224
• NSC Number: 57639
• DSSTox Substance ID: DTXSID70288797
• Nikkaji Number: J125.428F
• Wikidata: Q82025888
• Mol file: 6939-72-6.mol

Synonyms:6939-72-6;NSC 57639;6-oxo-6-propoxyhexanoic acid;Hexanedioic acid monopropyl ester;monopropyl adipate;NSC57639;Adipinsaure-mono-n-propylester;SCHEMBL1419216;DTXSID70288797;NSC-57639

Chemical Property of 6-Oxo-6-propoxyhexanoic acid

Chemical Property:

• Vapor Pressure: 0.000254mmHg at 25°C
• Boiling Point: 301°C at 760 mmHg
• Flash Point: 114°C
• Density: 1.074g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)CCCCC(=O)O

Technology Process of 6-Oxo-6-propoxyhexanoic acid

There total 2 articles about 6-Oxo-6-propoxyhexanoic acid 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: 85.0%

Adipic acid (124-04-9) + propyl methanoate (110-74-7) → Hexanedioic acid monopropyl ester (6939-72-6) + di-n-propyl adipate (106-19-4)

Guidance literature:

With Dowex 50W-X₂ (50-100 mesh); In octane; at 70 ℃; for 2.66667h;

DOI:10.1016/S0040-4039(96)01454-2

Reference yield:

propan-1-ol (71-23-8) + Adipic acid (124-04-9) → Hexanedioic acid monopropyl ester (6939-72-6) + di-n-propyl adipate (106-19-4)

Guidance literature:

With sulfuric acid;

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + Hexanedioic acid monopropyl ester (6939-72-6) → Vinyl-propyl-adipat (5135-75-1)

Guidance literature:

With sulfuric acid; mercury(II) diacetate; hydroquinone;

upstream raw materials:

propan-1-ol

Adipic acid

propyl methanoate

Downstream raw materials:

Vinyl-propyl-adipat

Refernces

• 1、 Nishiguchi, Takeshi,Ishii, Yasuhiro,Fujisaki, Shizuo. "Selective monoesterification of dicarboxylic acids catalysed by ion-exchange resins". . p. 3023 - 3027. Retrieved 2007/10/03.