9-Hydroxynonanoic acid

Base Information

• Chemical Name: 9-Hydroxynonanoic acid
• CAS No.: 3788-56-5
• Molecular Formula: C9H18O3
• Molecular Weight: 174.24
• Hs Code.: 2918199090
• European Community (EC) Number: 635-739-3
• UNII: HV672SU12G
• DSSTox Substance ID: DTXSID50191316
• Nikkaji Number: J262.019G
• Wikidata: Q27148182
• Metabolomics Workbench ID: 1305
• Mol file: 3788-56-5.mol

Synonyms:9-hydroxynonanoic acid

Chemical Property of 9-Hydroxynonanoic acid

Chemical Property:

• Appearance/Colour: white to yellow chunks or low melting solid
• Vapor Pressure: 4.43E-05mmHg at 25°C
• Melting Point: 53-54℃
• Refractive Index: 1.4072 (estimate)
• Boiling Point: 313.1 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 157.4 °C
• PSA: 57.53000
• Density: 1.029g/cm³
• LogP: 1.79400
• Storage Temp.: -20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 174.125594432
• Heavy Atom Count: 12
• Complexity: 112

Purity/Quality:

99%, ^*data from raw suppliers

8-Carboxyoctanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41-36
• Safety Statements: 24/25-36-26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCO)CCCC(=O)O
• Uses: a volatile hydroxy acid component of particular body odors

Technology Process of 9-Hydroxynonanoic acid

There total 48 articles about 9-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: 99.0%

azelaic monomethyl ester (2104-19-0) → 9-hydroxynonanoic acid (3788-56-5)

Guidance literature:

With sodium tetrahydroborate; water; In 1,4-dioxane; at 25 ℃;

Reference yield: 99.0%

oxecan-2-one (6008-27-1) → 9-hydroxynonanoic acid (3788-56-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja00020a036

Reference yield: 96.0%

9-chlorononanoic acid (1120-10-1) → 9-hydroxynonanoic acid (3788-56-5)

Guidance literature:

With sodium hydroxide; for 7h; Heating;

DOI:10.1007/BF00960290

upstream raw materials:

Dimethyl azelate

9-hydroxynonanal

methyl 9-hydroxynonanoate

9-acetoxy nonanoic acid

Downstream raw materials:

azelaic acid

azelaic acid semialdehyde

9-bromononanoic acid

9-(9-hydroxy-nonanoyloxy)-nonanoic acid

Refernces

• 1、 Zhang, Guang-Xiang,You, Zhi-Neng,Yu, Jia-Mei,Liu, Yuan-Yang,Pan, Jiang,Xu, Jian-He,Li, Chun-Xiu. "Discovery and Engineering of a Novel Baeyer-Villiger Monooxygenase with High Normal Regioselectivity". . p. 1190 - 1195. Retrieved 2021.
• 2、 -. "PCSK9 ANTAGONIST COMPOUNDS". Page/Page column 80-81. . Retrieved 2021/06/26.