3-Oxoheptanoic acid

Base Information Edit

Chemical Name:3-Oxoheptanoic acid
CAS No.:63563-21-3
Molecular Formula:C₇H₁₂O₃
Molecular Weight:144.17
Hs Code.:
DSSTox Substance ID:DTXSID8069937
Nikkaji Number:J206.096E
Wikidata:Q27458439
Metabolomics Workbench ID:1536
Mol file:63563-21-3.mol

Synonyms:3-Oxoheptanoic acid;63563-21-3;3-oxo-heptanoic acid;n-valeryl acetic acid;Heptanoic acid, 3-oxo-;Valerylessigsaure;3-ketoenanthic acid;SCHEMBL380858;DTXSID8069937;CHEBI:179402;LMFA01060012;AKOS006378610;FT-0757562;Q27458439

Suppliers and Price of 3-Oxoheptanoic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 3-Oxoheptanoic acid Edit

Chemical Property:

Vapor Pressure:0.0037mmHg at 25°C
Boiling Point:260.2°C at 760 mmHg
PKA:3.53±0.32(Predicted)
Flash Point:125.4°C
PSA：54.37000
Density:1.061g/cm³
LogP:1.22040
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:144.078644241
Heavy Atom Count:10
Complexity:129

Purity/Quality:

Safty Information:

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MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(=O)CC(=O)O

Technology Process of 3-Oxoheptanoic acid

There total 3 articles about 3-Oxoheptanoic 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: 93.0%