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Isopropyl acetoacetate · CAS 542-08-5 · C7H12O3. UNII 38GTB2C6XC.
| CAS Registry Number | 542-08-5 |
|---|---|
| PubChem CID | 68329 |
| Molecular formula | C7H12O3 |
| IUPAC name | propan-2-yl 3-oxobutanoate |
| UNII (FDA) | 38GTB2C6XC |
| Molecular Weight | 144.17 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 144.078644241 |
| Monoisotopic Mass | 144.078644241 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Reported hazard statements | H315 (69.7%), H319 (42.4%), H335 (10.6%) |
|---|
H315 (69.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (42.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Isopropyl acetoacetate; Isopropyl 3-oxobutanoate; Butanoic acid, 3-oxo-, 1-methylethyl ester; UNII-38GTB2C6XC; Isopropyl acetylacetate; 38GTB2C6XC; 3-Oxobutanoic acid 1-methylethyl ester; EINECS 208-798-4; EC 208-798-4; DTXSID7060253; Acetoacetic acid, isopropyl ester; ISOPROPYL ACETOACETATE [MI]; ACETOACETIC ACID ISOPROPYL ESTE; RefChem:149807; DTXCID7041627; 208-798-4
CAS 542-08-5; molecular formula C7H12O3; molecular weight — g/mol.
Isopropyl acetoacetate, Isopropyl 3-oxobutanoate, Butanoic acid, 3-oxo-, 1-methylethyl ester, UNII-38GTB2C6XC, Isopropyl acetylacetate, 38GTB2C6XC.
Hazard statements reported: H315, H319, H335.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.