Isopropyl acetoacetate

Base Information Edit

Chemical Name:Isopropyl acetoacetate
CAS No.:542-08-5
Molecular Formula:C7H12O3
Molecular Weight:144.17
Hs Code.:29183000
European Community (EC) Number:208-798-4
UNII:38GTB2C6XC
DSSTox Substance ID:DTXSID7060253
Nikkaji Number:J101.359I
Wikidata:Q27256784
Mol file:542-08-5.mol

Synonyms:Isopropyl acetoacetate;542-08-5;Isopropyl 3-oxobutanoate;Butanoic acid, 3-oxo-, 1-methylethyl ester;propan-2-yl 3-oxobutanoate;Acetoacetic Acid Isopropyl Ester;UNII-38GTB2C6XC;38GTB2C6XC;3-oxo-butyric acid isopropyl ester;EINECS 208-798-4;MFCD00043933;3-Oxobutanoic acid 1-methylethyl ester;EC 208-798-4;Isopropyl acetylacetate;Isopropyl3-oxobutanoate;Isopropyl 3-Oxobutyrate;1-methylethyl acetoacetate;acetoacetic acid isopropylester;SCHEMBL182320;DTXSID7060253;Acetoacetic acid, isopropyl ester;3-Oxobutyric Acid Isopropyl Ester;ISOPROPYL ACETOACETATE [MI];BBL027993;propan-2-yl 3-oxidanylidenebutanoate;STL373488;3-oxobutanoic acid propan-2-yl ester;ACETOACETIC ACID ISOPROPYL ESTE;AKOS000120809;AS-15049;SY003452;CS-0179766;FT-0621776;I0826;EN300-20863;A830035;W-105657;Q27256784;Isopropyl acetoacetate, Lonza quality, >=99.0% (GC)

Suppliers and Price of Isopropyl 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
Isopropyl acetoacetate
250g
$ 305.00

TCI Chemical
Isopropyl Acetoacetate >97.0%(GC)
500g
$ 297.00

TCI Chemical
Isopropyl Acetoacetate >97.0%(GC)
25g
$ 24.00

Sigma-Aldrich
Isopropyl acetoacetate Lonza quality, ≥99.0% (GC)
1kg
$ 120.00

Sigma-Aldrich
Isopropyl acetoacetate Lonza quality, ≥99.0% (GC)
230kg
$ 6010.00

Sigma-Aldrich
Isopropyl acetoacetate Lonza quality, ≥99.0% (GC)
25kg
$ 2030.00

Medical Isotopes, Inc.
Isopropyl acetoacetate
1 g
$ 845.00

Frontier Specialty Chemicals
Isopropyl acetoacetate 98%
250g
$ 39.00

Frontier Specialty Chemicals
Isopropyl acetoacetate 98%
50g
$ 38.00

American Custom Chemicals Corporation
ISOPROPYL ACETOACETATE 95.00%
10G
$ 2425.50

Total 91 raw suppliers

Chemical Property of Isopropyl acetoacetate Edit

Chemical Property:

Appearance/Colour:Colourless liquid
Vapor Pressure:0.686mmHg at 25°C
Melting Point:-27 °C
Refractive Index:n20/D 1.418
Boiling Point:185.8 °C at 760 mmHg
PKA:11.67±0.46(Predicted)
Flash Point:68.9 °C
PSA：43.37000
Density:0.993 g/cm³
LogP:0.91710
Solubility.:Chloroform, Ethyl Acetate, Methanol, Toluene,
Water Solubility.:Slightly miscible with water.
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:144.078644241
Heavy Atom Count:10
Complexity:138

Purity/Quality:

99% ^*data from raw suppliers

Isopropyl acetoacetate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 38
Safety Statements: 26-36-24/25

MSDS Files:: Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)OC(=O)CC(=O)C
Uses Isopropyl acetoacetate (IPAA) is used as intermediate for chemical synthesis. Product Data Sheet Isopropyl acetoacetate is used as an intermediate for the manufacturing of agrochemicals and pharmaceutical products such as isradipine.

Technology Process of Isopropyl acetoacetate

There total 20 articles about Isopropyl 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: 98.0%