Isopropyl acetoacetate (CAS 542-08-5) — formula C7H12O3, molecular weight 144.17; category organic chemicals.
| CAS Number | 542-08-5 |
|---|---|
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.17 |
| LogP | 0.8 |
| Applications | Industry Uses: Intermediate, Consumer Uses: Solvent, U.S. Production: 2023: 40, 565 lb, 2022: 40, 2021: 40, General Manufacturing Information: Printing Ink Manufacturing, Butanoic acid, 3-oxo-, 1-methylethyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Industry Uses: Intermediate, Consumer Uses: Solvent, U.S. Production: 2023: 40, 565 lb, 2022: 40, 2021: 40, General Manufacturing Information: Printing Ink Manufacturing, Butanoic acid, 3-oxo-, 1-methylethyl ester: ACTIVE.
Isopropyl acetoacetate is a carbon-based organic compound with CAS registry number 542-08-5 and molecular formula C7H12O3 (molecular weight 144.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 542-08-5
Its molecular formula C7H12O3 comprises 7 C, 12 H, 3 O atoms.
Also known as: Isopropyl acetoacetate · 乙酰乙酸异丙酯
Category: organic chemicals
The CAS registry number of Isopropyl acetoacetate is 542-08-5.
Molecular formula C7H12O3, molecular weight 144.17.
It is also registered under: Isopropyl acetoacetate, 乙酰乙酸异丙酯.
Recorded applications: Industry Uses: Intermediate, Consumer Uses: Solvent, U.S. Production: 2023: 40, 565 lb, 2022: 40, 2021: 40, General Manufacturing Information: Printing Ink Manufacturing, Butanoic acid, 3-oxo-, 1-methylethyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Isopropyl acetoacetate (CAS 542-08-5), compiled from public chemistry databases.
| 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 |
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
| 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 · CAS 542-08-5 · C7H12O3. UNII 38GTB2C6XC.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酰乙酸异丙酯