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

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

TRC
Isobutyl Acetoacetate
50g
$ 120.00

TCI Chemical
Isobutyl Acetoacetate >98.0%(GC)
25mL
$ 28.00

Sigma-Aldrich
Isobutyl acetoacetate Lonza quality, ≥97.0% (GC)
1kg
$ 85.80

Sigma-Aldrich
Isobutyl acetoacetate ≥98.0% (GC)
100ml
$ 49.80

Sigma-Aldrich
Isobutyl acetoacetate Lonza quality, ≥97.0% (GC)
180kg
$ 3560.00

Sigma-Aldrich
Isobutyl acetoacetate Lonza quality, ≥97.0% (GC)
25kg
$ 1580.00

Medical Isotopes, Inc.
Isobutyl Acetoacetate
250 g
$ 675.00

Crysdot
Isobutyl3-oxobutanoate 95+%
100g
$ 49.00

American Custom Chemicals Corporation
ISOBUTYL ACETOACETATE 95.00%
180KG
$ 10943.63

American Custom Chemicals Corporation
ISOBUTYL ACETOACETATE 95.00%
25KG
$ 8148.53

Total 52 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:

Reference yield: 96.0%