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Isopropyl acetoacetate - 98%, high purity , CAS No.542-08-5
Basic Description
Synonyms | AKOS000120809 | EC 208-798-4 | Isopropyl 3-Oxobutyrate | SCHEMBL182320 | UNII-38GTB2C6XC | Isopropyl3-oxobutanoate | Isopropyl acetylacetate | acetoacetic acid isopropylester | Isopropyl 3-oxobutanoate | Butanoic acid, 3-oxo-, 1-methylethyl ester | Q27256 |
Specifications & Purity | ≥98% |
Shipped In | Normal |
Product Description | 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 |
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Names and Identifiers
Pubchem Sid | 488184126 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184126 |
IUPAC Name | propan-2-yl 3-oxobutanoate |
INCHI | InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3 |
InChi Key | GVIIRWAJDFKJMJ-UHFFFAOYSA-N |
Canonical SMILES | CC(C)OC(=O)CC(=O)C |
Isomeric SMILES | CC(C)OC(=O)CC(=O)C |
WGK Germany | 1 |
PubChem CID | 68329 |
Molecular Weight | 144.17 |
Beilstein | 1757046 |
Reaxy-Rn | 1757046 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
WGK Germany | 1 |
Reaxy-Rn | 1757046 |
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