Ethyl 8-hydroxyoctanoate

Base Information

• Chemical Name: Ethyl 8-hydroxyoctanoate
• CAS No.: 93892-06-9
• Molecular Formula: C10H20O3
• Molecular Weight: 188.267
• Hs Code.: 2918199090
• European Community (EC) Number: 299-486-7
• DSSTox Substance ID: DTXSID50239828
• Nikkaji Number: J140.307I
• Wikidata: Q83122319
• Mol file: 93892-06-9.mol

Synonyms:Ethyl 8-hydroxyoctanoate;93892-06-9;EINECS 299-486-7;ethyl8-hydroxyoctanoate;SCHEMBL2559740;DTXSID50239828;8-Hydroxycaprylic acid ethyl ester;AKOS006276966;Octanoic acid, 8-hydroxy-, ethyl ester;CS-0458829;EN300-246468

Chemical Property of Ethyl 8-hydroxyoctanoate

Chemical Property:

• Vapor Pressure: 0.00206mmHg at 25°C
• Boiling Point: 258.2°C at 760 mmHg
• Flash Point: 97.5°C
• PSA: 46.53000
• Density: 0.967g/cm³
• LogP: 1.88240
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 123

Purity/Quality:

Ethyl8-Hydroxyoctanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCO
• Uses: Ethyl 8-Hydroxyoctanoate is a reagent used in the site-specific radiofluorination of biomolecules.

Technology Process of Ethyl 8-hydroxyoctanoate

There total 16 articles about Ethyl 8-hydroxyoctanoate 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%

5-Hexen-1-ol (821-41-0) + methylthioacetic acid ethyl ester (4455-13-4) → 8-hydroxyoctanoic acid ethyl ester (93892-06-9)

Guidance literature:

In acetonitrile; at 18 - 20 ℃; for 2.5h;

DOI:10.1016/S0040-4039(97)10095-8

Reference yield: 85.0%

ethyl 8-(tetrahydro-2H-pyran-2-yl)oxyoctanoate (57221-91-7) → 8-hydroxyoctanoic acid ethyl ester (93892-06-9)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; for 12h; Ambient temperature;

Reference yield: 81.2%

(E)-8-hydroxy-oct-2-enoic acid ethyl ester (75958-95-1) → 8-hydroxyoctanoic acid ethyl ester (93892-06-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 5h; Ambient temperature;

DOI:10.1016/S0022-1139(00)81186-0

upstream raw materials:

(E)-8-hydroxy-oct-2-enoic acid ethyl ester

ethyl 8-(tetrahydro-2H-pyran-2-yl)oxyoctanoate

5-Hexen-1-ol

methylthioacetic acid ethyl ester

Downstream raw materials:

ethyl 8-fluorooctanoate

S-[7-(3-azidophenyl)heptyl]glutathione

1-azido-3-(7-bromo-heptyl)-benzene

7-(3-azido-phenyl)-heptan-1-ol

Refernces

• 1、 -. "DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR". . . Retrieved 2015/04/15.
• 2、 -. "NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT". . . Retrieved 2013/09/26.