2-Ethylhexyl acetate

Base Information

• Chemical Name: 2-Ethylhexyl acetate
• CAS No.: 103-09-3
• Deprecated CAS: 12261-98-2
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• Hs Code.: 29153990
• European Community (EC) Number: 203-079-1
• NSC Number: 8897
• UN Number: 1993
• UNII: 2C7K8OA8SB
• DSSTox Substance ID: DTXSID8026694
• Nikkaji Number: J46.181D
• Wikidata: Q5656537
• RXCUI: 1313749
• Metabolomics Workbench ID: 125234
• ChEMBL ID: CHEMBL1879713
• Mol file: 103-09-3.mol

Synonyms:2-ethyl-hexylacetate;2-ethylhexyl acetate

Chemical Property of 2-Ethylhexyl acetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.413mmHg at 25°C
• Melting Point: -92 °C
• Refractive Index: n20/D 1.418(lit.)
• Boiling Point: 195.7 °C at 760 mmHg
• Flash Point: 71.4 °C
• PSA: 26.30000
• Density: 0.872 g/cm³
• LogP: 2.76590
• Storage Temp.: Store below +30°C.
• Solubility.: water: slightly soluble0.0039 g/L
• Water Solubility.: 3.9mg/L at 20℃
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 121
• Transport DOT Label: Combustible Liquid

Purity/Quality:

99% ^*data from raw suppliers

2-Ethylhexyl Acetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CCCCC(CC)COC(=O)C
• Uses: Solvent for nitrocellulose, some resins, waxes, and oils.

Technology Process of 2-Ethylhexyl acetate

There total 20 articles about 2-Ethylhexyl acetate 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%

vinyl acetate (108-05-4,9003-20-7) + 2-Ethylhexyl alcohol (104-76-7) → 2-ethylhexyl acetate (103-09-3)

Guidance literature:

With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes; at 50 ℃; for 5h; Green chemistry;

DOI:10.1039/c5ra10032a

Reference yield: 99.0%

2-Ethylhexyl alcohol (104-76-7) + acetic acid (64-19-7,77671-22-8) → 2-ethylhexyl acetate (103-09-3)

Guidance literature:

With K5; for 0.75h; Heating;

DOI:10.1016/S0040-4020(01)00806-7

Reference yield: 97.0%

2-Ethylhexyl alcohol (104-76-7) + acetic anhydride (108-24-7) → 2-ethylhexyl acetate (103-09-3)

Guidance literature:

(NH₄)8[CeW₁₀O₃₆]*20H₂O; for 0.25h; Heating;

DOI:10.1007/s00706-004-0196-4

upstream raw materials:

2-Ethylhexyl alcohol

acetic anhydride

acetyl chloride

3-bromomethylheptane

Downstream raw materials:

2-Ethylhexyl alcohol

acetic acid

2-propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

2-ethyl-1-hexene

Refernces

• 1、 Taysun, M. Bengi,Sert, Emine,Atalay, Ferhan S.. "Effect of Hydrogen Bond Donor on the Physical Properties of Benzyltriethylammonium Chloride Based Deep Eutectic Solvents and Their Usage in 2-Ethyl-Hexyl Acetate Synthesis as a Catalyst". . p. 1173 - 1181. Retrieved 2017.
• 2、 Habibi,Tangestaninejad,Mirkhani,Yadollahi. "Cobalt polyoxometalate, CoW12O405- as a new reusable catalyst for the direct, fast, and efficient acetylation of alcohols and phenols under solventless conditions". . p. 863 - 867. Retrieved 2002.
• 3、 Mirkhani, Valiollah,Tangestaninejad, Shahram,Moghadam, Majid,Yadollahi, Bahram,Alipanah, Ladan. "Cerium polyoxometalate as a reusable catalyst for acetylation and formylation of alcohols". . p. 1257 - 1263. Retrieved 2004.
• 4、 Xu, Zichen,Zhao, Guoying,Ullah, Latif,Wang, Meng,Wang, Aoyun,Zhang, Yanqiang,Zhang, Suojiang. "Acidic ionic liquid based UiO-67 type MOFs: A stable and efficient heterogeneous catalyst for esterification". . p. 10009 - 10016. Retrieved 2018.
• 5、 Habibi, Mohammad H.,Tangestaninejad, Shahram,Mirkhani, Valiollah,Yadollahi, Bahram. "Catalytic acetylation of alcohols and phenols with potassium dodecatungstocobaltate trihydrate". . p. 323 - 327. Retrieved 2002.
• 6、 Miao, Jinmei,Wan, Hui,Guan, Guofeng. "Synthesis of immobilized Br?nsted acidic ionic liquid on silica gel as heterogeneous catalyst for esterification". . p. 353 - 356. Retrieved 2011.
• 7、 Schreyer. "". . p. 3243. Retrieved 1952.
• 8、 Huy, Peter H.,Filbrich, Isabel. "A General Catalytic Method for Highly Cost- and Atom-Efficient Nucleophilic Substitutions". supporting information. p. 7410 - 7416. Retrieved 2018/04/30.