3-Hydroxynonanoic acid

Base Information

• Chemical Name: 3-Hydroxynonanoic acid
• CAS No.: 40165-87-5
• Molecular Formula: C₉H₁₈O₃
• Molecular Weight: 174.24
• DSSTox Substance ID: DTXSID70955371
• Nikkaji Number: J262.013H
• Metabolomics Workbench ID: 1302
• Mol file: 40165-87-5.mol

Synonyms:3-HYDROXYNONANOIC ACID;40165-87-5;33796-87-1;3-oxidanylnonanoic acid;88930-09-0;(+/-)-3-Hydroxynonanoic Acid;3-hydroxy-nonanoic acid;(+)-3-hydroxy pelargonic acid;[R,(-)]-3-Hydroxynonanoic acid;MFCD00210303;Nonanoic acid, 3-hydroxy-, (A+/-)-;beta-hydroxynonanoic acid;()-3-Hydroxynonanoic acid;SCHEMBL310347;DTXSID70955371;CHEBI:156185;FA 9:0+1O;LMFA01050025;AKOS011680661;SB85216;SS-4993;Methyl4-oxo-3-piperidinecarboxylate HCL;9:0(3-OH);CS-0327437;FT-0639616;A824951

Chemical Property of 3-Hydroxynonanoic acid

Chemical Property:

• Vapor Pressure: 9.07E-05mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 303.2 °C at 760 mmHg
• Flash Point: 151.4 °C
• PSA: 57.53000
• Density: 1.027 g/cm³
• LogP: 1.79240
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 174.125594432
• Heavy Atom Count: 12
• Complexity: 123

Purity/Quality:

98%min ^*data from raw suppliers

3-HydroxynonanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CC(=O)O)O
• Uses: A nonesterified 3-hydroxy acid identified in milk A nonesterified 3-hydroxy acid identified in milk.

Technology Process of 3-Hydroxynonanoic acid

There total 4 articles about 3-Hydroxynonanoic 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: 86.0%

Ricinoleic acid (141-22-0,27925-02-6,7431-95-0,84799-84-8) → azelaic acid (123-99-9,26776-28-3) + β-hydroxynonanoic acid (33796-87-1,45023-83-4,88930-09-0,40165-87-5)

Guidance literature:

With oxygen; ozone; In water; acetone; at 0 ℃; Flow reactor;

DOI:10.1039/d0gc04021e

Reference yield: 84.0%

(Z)-12-hydroxyoctadec-9-enoic acid (81212-19-3,27925-02-6,7431-95-0,84799-84-8) → azelaic acid (123-99-9,26776-28-3) + β-hydroxynonanoic acid (33796-87-1,45023-83-4,88930-09-0,40165-87-5) + 12-hydroxy-9,10-epoxyoctadecanoic acid (47244-76-8,118201-32-4)

Guidance literature:

With cetylpyridinium peroxotungstophosphate; dihydrogen peroxide; In water; at 80 ℃; for 1h;

DOI:10.1007/s11172-006-0047-z

Reference yield: 39.0%

trans-2-cyanocyclohexanol (63301-31-5,125291-55-6) → β-hydroxynonanoic acid (33796-87-1,45023-83-4,88930-09-0,40165-87-5) + trans-2-hydroxycyclohexanecarboxylic acid (609-69-8,1123-72-4,1654-66-6,1654-67-7,1655-00-1,1655-01-2,3749-17-5,17502-32-8,28131-61-5)

Guidance literature:

With phosphate buffer; immobilized enzyme preparation from Rhodococcus sp; for 48h; Ambient temperature; pH 7.0;

upstream raw materials:

trans-2-cyanocyclohexanol

cis-2-hydroxycyclohexanecarbonitrile

(Z)-12-hydroxyoctadec-9-enoic acid

Ricinoleic acid

Downstream raw materials:

2-nonenoic acid

Refernces

• 1、 Pai,Tolstikov,Berdnikova,Kustova,Khlebnikova,Selivanova,Shangina,Kostrovskii. "Catalytic oxidation of olefins and alcohols with hydrogen peroxide in a two-phase system giving mono- and dicarboxylic acids". . p. 1847 - 1854. Retrieved 2007/10/03.