9-Hydroxyoctadecanoic acid

Base Information

• Chemical Name: 9-Hydroxyoctadecanoic acid
• CAS No.: 3384-24-5
• Molecular Formula: C18H36 O3
• Molecular Weight: 300.482
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID60948393
• Nikkaji Number: J297.111I
• Wikidata: Q82926227
• Metabolomics Workbench ID: 2163
• ChEMBL ID: CHEMBL1093742
• Mol file: 3384-24-5.mol

Synonyms:9-hydroxystearic acid;9-hydroxystearic acid, (R)-isomer;9-hydroxystearic acid, (S)-isomer

Chemical Property of 9-Hydroxyoctadecanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 433.9°Cat760mmHg
• Flash Point: 230.4°C
• PSA: 57.53000
• Density: 0.944g/cm³
• LogP: 5.30330
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 16
• Exact Mass: 300.26644501
• Heavy Atom Count: 21
• Complexity: 229

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(CCCCCCCC(=O)O)O

Technology Process of 9-Hydroxyoctadecanoic acid

There total 1 articles about 9-Hydroxyoctadecanoic 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:

cis-Octadecenoic acid (112-80-1,2027-47-6) → 9-hydroxystearic acid (3384-24-5) + 10-hydroxystearic acid (638-26-6)

Guidance literature:

With sulfuric acid; at 15 ℃; Versetzen des Reaktionsgemisches mit Eiswasser, Kochen und folgendes Verseifen mit siedender alkoh.KOH;

Reference yield: 20.0%

9-hydroxystearic acid (3384-24-5) + para-bromophenacyl bromide (99-73-0,132309-76-3) → C26H41BrO4

Guidance literature:

With N-cyclohexyl-cyclohexanamine; Reagent/catalyst;

Reference yield:

9-hydroxystearic acid (3384-24-5) → methyl (9R)-9-{[(2R)-2-(acetyloxy)-2-phenylacetyl]oxy}octadecanoate

Guidance literature:

Multi-step reaction with 2 steps

1: Novozym 435 / 120 h / Resolution of racemate; Enzymatic reaction

2: diethyl ether

With Novozym 435; In diethyl ether;

DOI:10.1016/j.molcatb.2012.06.017

upstream raw materials:

cis-Octadecenoic acid

Downstream raw materials:

9-oxo-octadecanoic acid

9-PAHSA