Isopropyl acetoacetate, 99%
Order Isopropyl acetoacetate, 99% (CAS 542-08-5) online at Zemixal: C7H12O3, COA and SDS with every lot, worldwide shipping.
About Isopropyl acetoacetate, 99%
Zemixal supplies Isopropyl acetoacetate, 99% within its pharma Intermediates & Building Blocks portfolio. For your records (99%), the material is defined by CAS 542-08-5, formula C7H12O3 and molar mass 144.17 g/mol. It is described as liquid.
Typical applications
- Organic synthesis
- API synthesis
Handling and storage
Reported physical data: boiling point 95 °C and density 0.989 g/mL at 20 °C. Classified under GHS with signal word Warning and hazard statements H315, H319 and H335. Read the SDS before first use.
Standard pack sizes are 25 g, 100 g and 500 g, and custom quantities are quoted on request. Every shipment includes a batch certificate of analysis and a 16-section SDS. Request pricing online and we confirm availability, documentation and freight to your country.
Typical uses
- Organic synthesis
- API synthesis
Applications
Specifications and identifiers
| Product name | Isopropyl acetoacetate, 99% |
|---|---|
| Catalogue number | ZX-007894 |
| CAS number | 542-08-5 |
| IUPAC name | propan-2-yl 3-oxobutanoate |
| Molecular formula | C7H12O3 |
| Molar mass | 144.17 g/mol |
| Exact mass | 144.0786 |
| Purity / assay | 99% |
| Physical form | Liquid |
| Appearance | Liquid |
| Boiling point | 95 °C |
| Density | 0.989 g/mL at 20 °C |
| XLogP3 | 0.8 |
| H-bond donors / acceptors | 0 / 3 |
| Topological polar surface area | 43.4 Ų |
| HS code | 29333990 |
| InChIKey | GVIIRWAJDFKJMJ-UHFFFAOYSA-N |
| SMILES | CC(C)OC(=O)CC(=O)C |
| PubChem CID | 68329 |
| 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 |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Warning
- 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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 25 g | Quoted on request | |
| 100 g | Quoted on request | |
| 500 g | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
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