Isopropyl acetoacetate, 99%

Name: Isopropyl acetoacetate, 99%
Brand: Vaqora Chemicals
SKU: VQ-008836

About Isopropyl acetoacetate, 99%

Isopropyl acetoacetate is an ester carrying the CAS registry number 542-08-5 with a typical assay of 99%. Its molecular formula is C7H12O3 and its molecular weight is 144.17 g/mol. Systematically, it is named propan-2-yl 3-oxobutanoate. Common synonyms include Isopropyl 3-oxobutanoate and Butanoic acid, 3-oxo-, 1-methylethyl ester.

It is supplied as a liquid. Literature values give a boiling point of 95 °C and a density of 0.989 g/mL at 20 °C. Store in a cool, well-ventilated place, away from sources of ignition, with the container tightly sealed. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Typical applications include organic synthesis and API synthesis. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies Isopropyl acetoacetate in 25 g, 100 g and 500 g packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Isopropyl acetoacetate, 99%
Catalogue No.	VQ-008836
CAS Number	542-08-5
IUPAC name	propan-2-yl 3-oxobutanoate
Molecular formula	C₇H₁₂O₃
Molecular weight	144.17 g/mol
Exact mass	144.0786
Purity / assay	99%
HSN code	29333990
InChIKey	GVIIRWAJDFKJMJ-UHFFFAOYSA-N
SMILES	CC(C)OC(=O)CC(=O)C
PubChem CID	68329

Physical properties
Physical form	Liquid
Appearance	Liquid
Boiling point	95 °C
Density	0.989 g/mL at 20 °C
LogP (XLogP3)	0.8
H-bond donors / acceptors	0 / 3
TPSA	43.4 Å²
Synonyms	Isopropyl 3-oxobutanoate, Butanoic acid, 3-oxo-, 1-methylethyl ester, Isopropyl acetylacetate, 3-Oxobutanoic acid 1-methylethyl ester, Acetoacetic acid, isopropyl ester, Isopropyl 3-Oxobutyrate, Isopropyl3-oxobutanoate, acetoacetic acid isopropylester, 3-oxo-butyric acid isopropyl ester, methylethyl 3-oxobutanoate, Acetoacetic Acid Isopropyl Ester, 1-methylethyl acetoacetate

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P271, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Isopropyl acetoacetate, 99%?

The CAS Registry Number of Isopropyl acetoacetate, 99% is 542-08-5. It is also known as Isopropyl 3-oxobutanoate, Butanoic acid, 3-oxo-, 1-methylethyl ester, Isopropyl acetylacetate.

What is the molecular formula and molecular weight of Isopropyl acetoacetate, 99%?

Isopropyl acetoacetate, 99% has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is propan-2-yl 3-oxobutanoate.

Which grade and pack sizes of Isopropyl acetoacetate, 99% can I order?

We supply Isopropyl acetoacetate, 99% in (99%) grade, in 25 g, 100 g, 500 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Isopropyl acetoacetate, 99%?

Yes. Every lot of Isopropyl acetoacetate, 99% is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Isopropyl acetoacetate, 99% be shipped internationally?

Yes. Isopropyl acetoacetate, 99% is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.