5-Oxononanoic acid

Base Information

• Chemical Name: 5-Oxononanoic acid
• CAS No.: 3637-15-8
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID70957698
• Nikkaji Number: J206.107D
• Wikidata: Q82938158
• Metabolomics Workbench ID: 1548
• Mol file: 3637-15-8.mol

Synonyms:5-Oxononanoic acid;3637-15-8;4-n-valeryl butyric acid;5-oxo-nonanoic acid;MFCD01320162;5-OXONONANOICACID;LMFA01060024;SCHEMBL11586982;DTXSID70957698;CHEBI:179513;AKOS006277608;BS-50306;CS-0152390;E76393

Chemical Property of 5-Oxononanoic acid

Chemical Property:

• Vapor Pressure: 0.000107mmHg at 25°C
• Boiling Point: 313.6oC at 760 mmHg
• Flash Point: 157.7oC
• PSA: 54.37000
• Density: 1.02g/cm3
• LogP: 2.00060
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

5-Oxononanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Oxononanoic acid

There total 1 articles about 5-Oxononanoic 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:

n-butylcyclopentane (2040-95-1) → 5-oxo-nonanoic acid (3637-15-8) + butyric acid (107-92-6) + valeric acid (109-52-4)

Guidance literature:

at 115 ℃;

DOI:10.1080/1065657X.2002.10702088

Reference yield: 75.0%

hydrogen ethyl malonate (1071-46-1) + 5-oxo-nonanoic acid (3637-15-8) → ethyl 2-butyl-6-oxocyclohex-1-enecarboxylate

Guidance literature:

5-oxo-nonanoic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; for 6h; Inert atmosphere;

hydrogen ethyl malonate; With magnesium ethylate; In tetrahydrofuran; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b01343

Reference yield: 74.0%

5-oxo-nonanoic acid (3637-15-8) → 6-Butyl-tetrahydro-pyran-2-one (3301-94-8)

Guidance literature:

With sodium tetrahydroborate; boric buffer; for 12h; bovine serum albumin, pH 10.0;

DOI:10.1021/jo00376a073

upstream raw materials:

n-butylcyclopentane

Downstream raw materials:

nonanoic acid

6-Butyl-tetrahydro-pyran-2-one

t-butyl-syn-5-hydroxy-2-(1-hydroxycyclohexyl)nonanoate