2-Ethylbutyl acetate

Base Information

• Chemical Name: 2-Ethylbutyl acetate
• CAS No.: 10031-87-5
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• Hs Code.: 2915390090
• European Community (EC) Number: 233-095-4
• UN Number: 1177
• UNII: R7S9T22253
• DSSTox Substance ID: DTXSID5064916
• Nikkaji Number: J150.766D
• Wikidata: Q20054518
• Metabolomics Workbench ID: 45046
• Mol file: 10031-87-5.mol

Synonyms:2-Ethylbutyl acetate;10031-87-5;Acetic acid, 2-ethylbutyl ester;2-ethyl butyl acetate;Acetic Acid 2-Ethylbutyl Ester;beta-Ethylbutyl acetate;FEMA No. 2425;UNII-R7S9T22253;EINECS 233-095-4;UN1177;R7S9T22253;2-ethylbutylacetat;2-Ethylbutyl=acetate;SCHEMBL27305;2-Ethylbutyl acetate, 98%;Acetic acid,2-ethylbutyl ester;1-Butanol, 2-ethyl-, acetate;2-Ethylbutyl acetate, >=98%;acetic acid 2-ethyl-butyl ester;DTXSID5064916;FEMA 2425;HQLKZWRSOHTERR-UHFFFAOYSA-;CHEBI:179948;MFCD00009343;NA1177;2-ETHYL BUTYL ACETATE [FHFI];AKOS006220485;A0029;FT-0612265;2-Ethylbutyl acetate [UN1177] [Flammable liquid];J-000097;2-Ethylbutyl acetate [UN1177] [Flammable liquid];Q20054518

Chemical Property of 2-Ethylbutyl acetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 2.16mmHg at 25°C
• Melting Point: -80.9°C (estimate)
• Refractive Index: n20/D 1.41(lit.)
• Boiling Point: 162.5 °C at 760 mmHg
• Flash Point: 52.8 °C
• PSA: 26.30000
• Density: 0.876 g/cm³
• LogP: 1.98570
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 95.4
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Statements: 10-52/53
• Safety Statements: 16-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(CC)COC(=O)C
• Uses: Solvent for nitrocellulose lacquers, flavoring.

Technology Process of 2-Ethylbutyl acetate

There total 7 articles about 2-Ethylbutyl 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:

2-ethyl-1-butanol (97-95-0) + acetic anhydride (108-24-7) → acetic acid-(2-ethyl-butyl ester) (10031-87-5)

Guidance literature:

With sulfuric acid;

Reference yield:

2-ethyl-1-butanol (97-95-0) + acetic acid (64-19-7,77671-22-8) → acetic acid-(2-ethyl-butyl ester) (10031-87-5)

Guidance literature:

With sulfuric acid;

Reference yield:

2-ethyl-1-butanol (97-95-0) + acetyl chloride (75-36-5) → acetic acid-(2-ethyl-butyl ester) (10031-87-5)

Guidance literature:

With pyridine; diethyl ether; beim Erwaermen;

DOI:10.1021/ja01601a068

upstream raw materials:

2-ethyl-1-butanol

acetic anhydride

acetic acid

acetyl chloride

Downstream raw materials:

2-ethyl-1-butene

Refernces

• 1、 -. "Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound". Page/Page column 49. . Retrieved 2010/12/18.
• 2、 Nugent, William A.. "An amino alcohol ligand for highly enantioselective addition of organozinc reagents to aldehydes: Serendipity rules". . p. 2133 - 2136. Retrieved 2007/10/03.