Ethyl 3-hydroxyoctanoate

Base Information

• Chemical Name: Ethyl 3-hydroxyoctanoate
• CAS No.: 7367-90-0
• Molecular Formula: C₁₀H₂₀O₃
• Molecular Weight: 188.267
• Hs Code.: 2918199090
• European Community (EC) Number: 230-919-4
• UNII: 6RC31Z1JXT
• DSSTox Substance ID: DTXSID80864046
• Nikkaji Number: J140.302H
• Wikidata: Q27265379
• Metabolomics Workbench ID: 49438
• Mol file: 7367-90-0.mol

Synonyms:Ethyl 3-hydroxyoctanoate;7367-90-0;3-Hydroxyoctanoic acid ethyl ester;UNII-6RC31Z1JXT;6RC31Z1JXT;Octanoic acid, 3-hydroxy-, ethyl ester;EINECS 230-919-4;Ethyl3-hydroxyoctanoate;SCHEMBL1242948;FEMA NO. 4453;DTXSID80864046;Ethyl (+/-)-3-hydroxyoctanoate;3-Hydroxycaprylic acid ethyl ester;LMFA05000657;MFCD00082952;AKOS008151896;SB84993;(+/-)-ETHYL 3-HYDROXYOCTANOATE;ETHYL 3-HYDROXYOCTANOATE, (+/-)-;CS-0261565;FT-0736066;EN300-79047;E89387;CAPRYLIC ACID, .BETA.-HYDROXY-, ETHYL ESTER;Q27265379;Z982131426

Chemical Property of Ethyl 3-hydroxyoctanoate

Chemical Property:

• Vapor Pressure: 0.000554mmHg at 25°C
• Refractive Index: 1.442
• Boiling Point: 277.5 °C at 760 mmHg
• PKA: 14.59±0.20(Predicted)
• Flash Point: 108.7 °C
• PSA: 46.53000
• Density: 0.965 g/cm³
• LogP: 1.88080
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 134

Purity/Quality:

Ethyl3-Hydroxyoctanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CC(=O)OCC)O
• Uses: Ethyl 3-Hydroxyoctanoate is used in manufacturing process for abrasion-resistant nano heat insulation film.

Technology Process of Ethyl 3-hydroxyoctanoate

There total 9 articles about Ethyl 3-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: 86.0%

hexanal (66-25-1) + ethyl bromoacetate (105-36-2) → ethyl β-hydroxyoctanoate (7367-90-0,96854-38-5,112138-04-2,118918-31-3)

Guidance literature:

With zinc; In tetrahydrofuran; at 66 ℃; for 0.0166667h;

DOI:10.1055/s-0034-1379479

Reference yield: 80.0%

ethyl 3-oxooctanoate (10488-95-6) → ethyl β-hydroxyoctanoate (7367-90-0,96854-38-5,112138-04-2,118918-31-3)

Guidance literature:

With tetrabutylammonium borohydride; In dichloromethane; acetic acid; at 0 - 20 ℃;

DOI:10.1016/j.tet.2014.05.107

Reference yield: 30.0%

trimethylsilanyl-acetic acid ethyl ester (4071-88-9) + hexanal (66-25-1) → ethyl β-hydroxyoctanoate (7367-90-0,96854-38-5,112138-04-2,118918-31-3) + [((Z)-Hex-1-enyl)oxy]-trimethyl-silane (64728-30-9) + 3-Trimethylsilanyloxy-octanoic acid ethyl ester (125557-74-6)

Guidance literature:

With tetrabutylammonium fluoride absorbed on silica gel; In tetrahydrofuran; for 3h; Ambient temperature;

upstream raw materials:

hexanal

ethyl bromoacetate

ethyl acetate

trimethylsilanyl-acetic acid ethyl ester

Downstream raw materials:

octanoic acid ethyl ester

ethyl 3-oxooctanoate

3-hydroxyoctanoic acid

3-(tert-butyldimethylsilyloxy)-N-(4-hydroxy-3-methoxybenzyl)octanamide