Ethyl decanoate

Base Information

• Chemical Name: Ethyl decanoate
• CAS No.: 110-38-3
• Molecular Formula: C12H24O2
• Molecular Weight: 200.321
• Hs Code.: 29159080
• European Community (EC) Number: 203-761-9
• NSC Number: 8909
• UNII: GY39FB86UO
• DSSTox Substance ID: DTXSID0044363
• Nikkaji Number: J1.974G
• Wikipedia: Ethyl_decanoate
• Wikidata: Q5404454
• Metabolomics Workbench ID: 4100
• ChEMBL ID: CHEMBL3184829
• Mol file: 110-38-3.mol

Synonyms:ethyl decanoate

Chemical Property of Ethyl decanoate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0339mmHg at 25°C
• Melting Point: -20 °C
• Refractive Index: n20/D 1.425
• Boiling Point: 242.5 °C at 760 mmHg
• Flash Point: 102 °C
• PSA: 26.30000
• Density: 0.87 g/cm³
• LogP: 3.69020
• Storage Temp.: 2-8°C
• Solubility.: H2O: insoluble
• Water Solubility.: insoluble
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Ethyl Decanoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OCC
• Description: Ethyl caprate (also known as ethyl decanoate) is the ethyl ester form of caprate. It is a kind of product during the fermentation process of winemaking. It also exists in the essential oils of many kinds of natural fruits. It can be used as a common flavoring agent and food spices.
• Uses: manufacture of wine bouquets, cognac essence. Ethyl Decanoate, is a fatty acid ester formed from capric acid and ethanol. It is a volatile ester produced during the fermentation in winemaking. It can also be used as a flavor and fragrance ingredients.

Technology Process of Ethyl decanoate

There total 32 articles about Ethyl decanoate 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%

2-n-nonyl-1,3-dioxolane (4353-06-4) + ethanol (64-17-5) → decanoic acid ethyl ester (110-38-3)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide;

DOI:10.1055/s-1997-996

Reference yield: 97.0%

ethanol (64-17-5) + 1-decanoic acid (334-48-5) → decanoic acid ethyl ester (110-38-3)

Guidance literature:

With alumina methanesulfonic acid; at 120 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1080/00397911.2013.875210

Reference yield: 86.0%

6-bromo-hexanoic acid ethyl ester (25542-62-5) + butyl magnesium bromide (693-04-9) → decanoic acid ethyl ester (110-38-3)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; C₃₄H₄₆Cl₄N₁₀Ni₂O₂; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c3dt32111h

upstream raw materials:

ethanol

1-decanoic acid

ethyl (E)-2-decenate

oct-1-ene

Downstream raw materials:

N,N-bis-(2-hydroxy-ethyl)-decanamide

1-benzyl-2-decanoyl-4,5-dihydroimidazole

Methyl decanoate

(S)-2-aminobutane

Refernces

• 1、 Oda, Shinobu,Ohta, Hiromichi. "Coupling of fermentation and esterification: Microbial esterification of decanoic acid with ethanol produced via fermentation". . p. 1388 - 1390. Retrieved 2001.
• 2、 Pucino, Margherita,Mougel, Victor,Schowner, Roman,Fedorov, Alexey,Buchmeiser, Michael R.,Copéret, Christophe. "Cationic Silica-Supported N-Heterocyclic Carbene Tungsten Oxo Alkylidene Sites: Highly Active and Stable Catalysts for Olefin Metathesis". . p. 4300 - 4302. Retrieved 2016.
• 3、 Bian, Tiancen,Feng, Li,Li, Danfeng,Huang, Jiaxin,Zhao, Yuxun,Xu, Xu,Yang, Yiqin,Wang, Shifa. "Oxidative Esterification of Aldehydes and Alcohols Catalyzed by Camphor-Based Imidazolium Salts". . p. 1812 - 1820. Retrieved 2020/01/11.
• 4、 Cruz-Estrada, Angel,Ruiz-Sánchez, Esaú,Cristóbal-Alejo, Jairo,González-Coloma, Azucena,Andrés, María Fe,Gamboa-Angulo, Marcela. "Medium-chain fatty acids from Eugenia winzerlingii leaves causing insect settling deterrent, nematicidal, and phytotoxic effects". . . Retrieved 2019/05/27.