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Isobutyl acetoacetate

Base Information Edit
  • Chemical Name:Isobutyl acetoacetate
  • CAS No.:7779-75-1
  • Molecular Formula:C8H14O3
  • Molecular Weight:158.197
  • Hs Code.:2918300090
  • European Community (EC) Number:231-937-5
  • UNII:5HI9DAL68Z
  • DSSTox Substance ID:DTXSID3064805
  • Nikkaji Number:J133.554E
  • Wikidata:Q27262211
  • Mol file:7779-75-1.mol
Isobutyl acetoacetate

Synonyms:Isobutyl acetoacetate;7779-75-1;Isobutyl 3-oxobutanoate;2-Methylpropyl 3-oxobutanoate;Butanoic acid, 3-oxo-, 2-methylpropyl ester;Acetoacetic acid, isobutyl ester;Isobutyl 3-ketobutyrate;Isobutyl 3-ketobutanoate;Acetoacetic Acid Isobutyl Ester;2-Methyl-1-propyl acetoacetate;FEMA No. 2177;UNII-5HI9DAL68Z;5HI9DAL68Z;EINECS 231-937-5;MFCD00059349;AI3-36524;ACIB;Isobutyl3-oxobutanoate;i-Butyl acetoacetate;Isobutyl 3-oxobutanoate #;SCHEMBL472554;DTXSID3064805;FEMA 2177;ZYXNLVMBIHVDRH-UHFFFAOYSA-;CHEBI:173674;ISOBUTYL ACETOACETATE [FHFI];3-Oxo-butanoicacid2-methylpropylester;AKOS000121000;Isobutyl acetoacetate, >=98.0% (GC);SY052364;Butanoic acid,3-oxo-,2-methylpropyl ester;A0814;FT-0730877;EN300-20772;D88331;A865154;Isobutyl acetoacetate, Lonza quality, >=97.0% (GC);Q27262211;Isobutyl acetoacetate, produced by Wacker Chemie AG, Burghausen, Germany, >=96.0% (GC)

Suppliers and Price of Isobutyl acetoacetate
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • AK Scientific
  • Isobutyl Acetoacetate
  • 5mL
  • $ 27.00
  • Ambeed
  • Isobutyl3-oxobutanoate 98+%
  • 25g
  • $ 10.00
  • Ambeed
  • Isobutyl3-oxobutanoate 98+%
  • 100g
  • $ 35.00
  • Ambeed
  • Isobutyl3-oxobutanoate 98+%
  • 500g
  • $ 123.00
  • Ambeed
  • Isobutyl3-oxobutanoate 98+%
  • 1kg
  • $ 205.00
  • American Custom Chemicals Corporation
  • ISOBUTYL ACETOACETATE 95.00%
  • 1KG
  • $ 6880.53
  • American Custom Chemicals Corporation
  • ISOBUTYL ACETOACETATE 95.00%
  • 25KG
  • $ 8148.53
  • American Custom Chemicals Corporation
  • ISOBUTYL ACETOACETATE 95.00%
  • 180KG
  • $ 10943.63
  • Crysdot
  • Isobutyl3-oxobutanoate 95+%
  • 100g
  • $ 49.00
  • Medical Isotopes, Inc.
  • Isobutyl Acetoacetate
  • 250 g
  • $ 675.00
Total 54 raw suppliers
Chemical Property of Isobutyl acetoacetate Edit
Chemical Property:
  • Vapor Pressure:0.342mmHg at 25°C 
  • Melting Point:177-179 °C(Solv: ethyl ether (60-29-7)) 
  • Refractive Index:n20/D 1.424(lit.)  
  • Boiling Point:199.4 °C at 760 mmHg 
  • PKA:10?+-.0.46(Predicted) 
  • Flash Point:78.3 °C 
  • PSA:43.37000 
  • Density:0.979 g/cm3 
  • LogP:1.16470 
  • Storage Temp.:Sealed in dry,Store in freezer, under -20°C 
  • XLogP3:1.2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:5
  • Exact Mass:158.094294304
  • Heavy Atom Count:11
  • Complexity:149
Purity/Quality:

99% *data from raw suppliers

Isobutyl Acetoacetate *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Canonical SMILES:CC(C)COC(=O)CC(=O)C
  • Description Isobutyl acetoacetate has a sweet, winey, brandy-like odor and a sweet and slightly fruity flavor. May be prepared from isobutyl acetate by heating in the presence of sodium isobutylate.
  • Uses Isobutyl acetoacetate is used as intermediate for the production of pharmaceuticals (e.g. Nisoldipine). Product Data Sheet Isobutyl Acetoacetate is a building block that has been used as a reactant in the preparation of b-annulated 1,4-dihydropyridine derivatives as TGFβ signaling inhibitors.
Technology Process of Isobutyl acetoacetate

There total 12 articles about Isobutyl acetoacetate 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:
Guidance literature:
for 0.0833333h; microwave irradiation;
Guidance literature:
With methylamine; at 88 - 90 ℃; for 5h; Temperature;
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