Malonic acid mono-tert-butyl ester (CAS 40052-13-9) — formula C7H12O4, molecular weight 160.17; category organic chemicals.
| CAS Number | 40052-13-9 |
|---|---|
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.17 |
| LogP | 0.8 |
| Category | Organic Chemicals |
Malonic acid mono-tert-butyl ester is a carbon-based organic compound with CAS registry number 40052-13-9 and molecular formula C7H12O4 (molecular weight 160.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40052-13-9
Its molecular formula C7H12O4 comprises 7 C, 12 H, 4 O atoms.
Also known as: Malonic acid mono-tert-butyl ester · 丙二酸单叔丁酯
Category: organic chemicals
The CAS registry number of Malonic acid mono-tert-butyl ester is 40052-13-9.
Molecular formula C7H12O4, molecular weight 160.17.
It is also registered under: Malonic acid mono-tert-butyl ester, 丙二酸单叔丁酯.
Category: Organic Chemicals.
Independent reference data for Malonic acid mono-tert-butyl ester (CAS 40052-13-9), compiled from public chemistry databases.
| CAS Registry Number | 40052-13-9 |
|---|---|
| PubChem CID | 545853 |
| Molecular formula | C7H12O4 |
| IUPAC name | 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid |
| UNII (FDA) | HT64N8NUD9 |
| Molecular Weight | 160.17 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 160.07355886 |
| Monoisotopic Mass | 160.07355886 |
| Topological Polar Surface Area | 63.6 |
| Heavy Atom Count | 11 |
mono-tert-Butyl malonate; 3-(tert-Butoxy)-3-oxopropanoic acid; RefChem:496181; 628-204-0; 40052-13-9; 3-tert-Butoxy-3-oxopropanoic acid; Malonic acid mono-tert-butyl ester; 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid; TERT-BUTYL HYDROGEN MALONATE; MFCD00191886; mono-t-butyl malonate; 2-(tert-butoxycarbonyl)acetic acid; Propanedioic acid, mono(1,1-dimethylethyl) ester; 3-tert-butoxy-3-oxo-propanoic acid; HT64N8NUD9; SCHEMBL52738
| Reported hazard statements | H314 (82.7%), H315 (17.3%), H319 (15.4%), H330 (82.7%), H335 (15.4%) |
|---|
H314 (82.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H315 (17.3%): Causes skin irritation [Warning Skin corrosion/irritation]
Malonic acid mono-tert-butyl ester · CAS 40052-13-9 · C7H12O4. UNII HT64N8NUD9.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丙二酸单叔丁酯