9-Hydroxydecanoic acid

Base Information

• Chemical Name: 9-Hydroxydecanoic acid
• CAS No.: 1422-27-1
• Molecular Formula: C10H20O3
• Molecular Weight: 188.267
• Hs Code.: 2918199090
• ChEMBL ID: CHEMBL1093740
• DSSTox Substance ID: DTXSID80404421
• Metabolomics Workbench ID: 1362
• Nikkaji Number: J262.026J
• Mol file: 1422-27-1.mol

Synonyms:9-hydroxydecanoic acid

Chemical Property of 9-Hydroxydecanoic acid

Chemical Property:

• Melting Point: 35-38oC
• PSA: 57.53000
• LogP: 2.18250
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 134

Purity/Quality:

99.90% ^*data from raw suppliers

9-HYDROXYDECANOIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCCCCCC(=O)O)O
• Uses: 9-Hydroxydecanoic Acid is an intermediate in the synthesis of Monocarboxyisodecyl Phthalate (M525575), a metabolite of Dibutyl phthalate (DBP) (D429495), which is found widely in consumer products.

Technology Process of 9-Hydroxydecanoic acid

There total 33 articles about 9-Hydroxydecanoic 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: 90.0%

9-Hydroxy-dec-6-ynoic acid (121942-48-1) → 9-hydroxydecanoic acid (1422-27-1)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethanol;

DOI:10.1016/S0040-4039(00)84531-1

Reference yield: 88.0%

10-benzamido-10-oxodecan-2-yl acetate → 9-hydroxydecanoic acid (1422-27-1)

Guidance literature:

10-benzamido-10-oxodecan-2-yl acetate; With sodium hydroxide; In methanol; water; at 20 ℃;

With hydrogenchloride; In water; at 20 ℃; for 1h; pH=2;

DOI:10.1016/j.tetlet.2017.02.027

Reference yield: 86.0%

9-Hydroxydecansaeure-methylester (2575-04-4) → 9-hydroxydecanoic acid (1422-27-1)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; at 0 - 20 ℃; for 3h;

upstream raw materials:

acetic acid tert-butyl ester

9-Hydroxydecansaeure-methylester

dec-9-enoic acid

9-Hydroxy-dec-6-ynoic acid

Downstream raw materials:

(E)-9-oxo-dec-2-enoic acid

S-Phenyl 9-Hydroxydecanethioate

phoracantholide I

10,20-Dimethyl-1,11-dioxa-cycloicosane-2,12-dione

Refernces

• 1、 Child, Stella A.,Rossi, Vanessa P.,Bell, Stephen G.. "Selective ?-1 oxidation of fatty acids by CYP147G1 from Mycobacterium marinum". . p. 408 - 417. Retrieved 2018/12/11.
• 2、 Rühlmann, Ansgar,Groth, Georg,Urlacher, Vlada B.. "Characterization of CYP154F1 from Thermobifida fusca YX and Extension of Its Substrate Spectrum by Site-Directed Mutagenesis". . p. 478 - 485. Retrieved 2018/02/06.