2-Oxobutyl acetate

Base Information

• Chemical Name: 2-Oxobutyl acetate
• CAS No.: 1575-57-1
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• Hs Code.: 2915390090
• European Community (EC) Number: 605-102-4
• NSC Number: 84222
• UNII: 9ZR62CUM43
• DSSTox Substance ID: DTXSID00166271
• Nikkaji Number: J40.568J
• Wikidata: Q72434299
• Mol file: 1575-57-1.mol

Synonyms:2-Oxobutyl acetate;1-Acetoxy-2-butanone;1575-57-1;1-Hydroxy-2-butanone acetate;2-Butanone, 1-(acetyloxy)-;2-BUTANONE, 1-HYDROXY-, ACETATE;1-(Acetyloxy)-2-butanone;NSC 84222;BRN 1755049;9ZR62CUM43;NSC-84222;4-02-00-00297 (Beilstein Handbook Reference);1-Acetoxy-butan-2-one;UNII-9ZR62CUM43;acetic acid 2-oxobutyl ester;SCHEMBL713608;DTXSID00166271;BAA57557;NSC84222;MFCD00027021;AKOS024429073;LS-11419;LS-46802;AM20080565;CS-0359350;FT-0691825;A809851

Chemical Property of 2-Oxobutyl acetate

Chemical Property:

• Vapor Pressure: 1.43mmHg at 25°C
• Refractive Index: 1.408
• Boiling Point: 171 °C at 760 mmHg
• Flash Point: 61.2 °C
• PSA: 43.37000
• Density: 1.015 g/cm³
• LogP: 0.52860
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

97% ^*data from raw suppliers

1-HYDROXY-2-BUTANONE ACETATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)COC(=O)C

Technology Process of 2-Oxobutyl acetate

There total 22 articles about 2-Oxobutyl 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: 85.0%

acetic anhydride (108-24-7) + 1-Hydroxy-2-butanone (5077-67-8) → 2-oxobutyl acetate (1575-57-1)

Guidance literature:

at 60 ℃; for 12h;

DOI:10.1021/jo062206+

Reference yield: 52.3%

3,3-dimethyldioxirane (74087-85-7) + butanone (78-93-3) → 3-acetoxy-2-butanone (4906-24-5,171287-68-6) + Acetol acetate (592-20-1) + 1-acetoxybutan-3-one (10150-87-5) + 2-oxobutyl acetate (1575-57-1)

Guidance literature:

In acetone; Yields of byproduct given; Heating;

DOI:10.1021/jo00041a036

Reference yield:

wood → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + ethyl isopropyl ketone (565-69-5) + 2-oxobutyl acetate (1575-57-1) + 2,5-hexanedione (110-13-4)

Guidance literature:

With air; Further byproducts given; Formation of xenobiotics;

DOI:10.1021/es981006f

upstream raw materials:

potassium acetate

1-chlorobutan-2-one

diazomethane

propanoyl bromide

Downstream raw materials:

1-acetoxy-3-phenylthio-2-butanone

N-(4-methoxybenzyl)-4-acetoxymethyl-5-methyl-thiazol-2-one

C₁₅H₁₉O₄NS₂

2-ethyl-3-hydroxyquinoline-4-carboxylic acid