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Isopropyl acetoacetate

Product Name
Isopropyl acetoacetate
CAS No.
542-08-5
Chemical Name
Isopropyl acetoacetate
Synonyms
IPAA;Isopropylacetoactetate;ACIP;Isopropylacetoacetat;Isopropyl acetoaceta;ISOPROPYL ACETOACETATE;Isopropyl3-oxobutyrate;Isopropyl3-oxobutanoate;IsopropylAcetoacetate>Isopropylacetoacetate,98%
CBNumber
CB1293982
Molecular Formula
C7H12O3
Formula Weight
144.17
MOL File
542-08-5.mol
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Isopropyl acetoacetate Property

Melting point:
-27°C
Boiling point:
95 °C52 hPa(lit.)
Density 
0.989 g/mL at 20 °C(lit.)
refractive index 
n20/D 1.418
Flash point:
73°C
storage temp. 
Storage temp. 2-8°C
solubility 
Chloroform, Ethyl Acetate, Methanol, Toluene,
pka
11.67±0.46(Predicted)
form 
Colourless Liquid
color 
Colorless to Almost colorless
Water Solubility 
Slightly miscible with water.
Merck 
14,5206
BRN 
1757046
InChIKey
GVIIRWAJDFKJMJ-UHFFFAOYSA-N
LogP
1.060 (est)
CAS DataBase Reference
542-08-5(CAS DataBase Reference)
EPA Substance Registry System
Butanoic acid, 3-oxo-, 1-methylethyl ester (542-08-5)
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Safety

Hazard Codes 
Xi
Risk Statements 
38
Safety Statements 
26-36-24/25
WGK Germany 
1
TSCA 
Yes
HS Code 
29183000
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H227Combustible liquid

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
689092
Product name
Isopropyl acetoacetate
Purity
Lonza quality, ≥99.0% (GC)
Packaging
1kg
Price
$156
Updated
2025/07/31
Sigma-Aldrich
Product number
689092
Product name
Isopropyl acetoacetate
Purity
Lonza quality, ≥99.0% (GC)
Packaging
25kg
Price
$2610
Updated
2025/07/31
TCI Chemical
Product number
I0826
Product name
Isopropyl Acetoacetate
Purity
>97.0%(GC)
Packaging
25g
Price
$38
Updated
2025/07/31
TCI Chemical
Product number
I0826
Product name
Isopropyl Acetoacetate
Purity
>97.0%(GC)
Packaging
500g
Price
$469
Updated
2025/07/31
Sigma-Aldrich
Product number
689092
Product name
Isopropyl acetoacetate
Purity
Lonza quality, ≥99.0% (GC)
Packaging
230kg
Price
$8320
Updated
2025/07/31
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Isopropyl acetoacetate Chemical Properties,Usage,Production

Chemical Properties

Colourless Liquid

Uses

Isopropyl acetoacetate (IPAA) is used as intermediate for chemical synthesis. Product Data Sheet

Uses

Isopropyl acetoacetate is used as an intermediate for the manufacturing of agrochemicals and pharmaceutical products such as isradipine.

Application

Isopropyl acetoacetate can be used as a reactant to synthesize:
Isopropyl 2-acetyl-3-phenyl-2-propenoate via Knoevenagel reaction in the presence of Ti(O-i-Pr)4.
Substituted 1,4-dihydropyridines by reacting with cinnamaldehydes and primary amines.
5-Isopropoxycarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-thione via Biginelli reaction with benzaldehyde and thiourea.

Synthesis Reference(s)

The Journal of Organic Chemistry, 26, p. 225, 1961 DOI: 10.1021/jo01060a055

Isopropyl acetoacetate Preparation Products And Raw materials

Raw materials

Preparation Products

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Isopropyl acetoacetate Suppliers

HBCChem, Inc.
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Lonza Inc
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View Lastest Price from Isopropyl acetoacetate manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Product
isopropyl acetoacetate 542-08-5
Price
US $2.00-5.00/KG
Min. Order
0.1KG
Purity
99%
Supply Ability
g-kg-tons
Release date
2025-07-10
Wuhan Fortuna Chemical Co.,Ltd
Product
Isopropyl acetoacetate 542-08-5
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20TONS
Release date
2025-03-13
Anhuyan (Hainan) Biotechnology Co., LTD
Product
Isopropyl acetoacetate 542-08-5
Price
US $0.00/G/KG
Min. Order
1G/KG
Purity
99%
Supply Ability
100MT
Release date
2025-04-14

542-08-5, Isopropyl acetoacetateRelated Search:


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