Acetoacetic acid allyl ester (CAS 1118-84-9) — formula C7H10O3, molecular weight 142.15; category organic chemicals.
Acetoacetic acid allyl ester is a carbon-based organic compound with CAS registry number 1118-84-9 and molecular formula C7H10O3 (molecular weight 142.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1118-84-9
Its molecular formula C7H10O3 comprises 7 C, 10 H, 3 O atoms.
Also known as: Acetoacetic acid allyl ester
Category: organic chemicals
The CAS registry number of Acetoacetic acid allyl ester is 1118-84-9.
Molecular formula C7H10O3, molecular weight 142.15.
It is also registered under: Acetoacetic acid allyl ester.
Category: Organic Chemicals.
Public-database records for Acetoacetic acid allyl ester (CAS 1118-84-9), reproduced here for independent cross-checking.
| Reported hazard statements | H301 (57.5%), H302 (42.5%), H311 (98.9%), H315 (98.9%) |
|---|
H301 (57.5%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (42.5%): Harmful if swallowed [Warning Acute toxicity, oral]
| 蒸气压 | 1.0 [mmHg] |
|---|
| CAS Registry Number | 1118-84-9 |
|---|---|
| PubChem CID | 70701 |
| 分子式 | C7H10O3 |
| IUPAC 名称 | prop-2-enyl 3-oxobutanoate |
| UNII（FDA） | 8HX066J62P |
Allyl acetoacetate; 1118-84-9; Allyl acetylacetate; Acetoacetic acid, allyl ester; Butanoic acid, 3-oxo-, 2-propenyl ester; UNII-8HX066J62P; AI3-04977; 8HX066J62P; EINECS 214-269-9; NSC-24280; Acetylacetic acid, allyl ester; DTXSID40149740; EC 214-269-9; NSC 24280; Allyl 3oxobutanoate; RefChem:110856
| 分子量 | 142.15 |
|---|---|
| XLogP3 | 0.6 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 5 |
| 精确质量 | 142.062994177 |
| 单同位素质量 | 142.062994177 |
| 拓扑极性表面积 | 43.4 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
Acetoacetic acid allyl ester · CAS 1118-84-9 · C7H10O3. UNII 8HX066J62P. 蒸气压: 1.0 [mmHg].
Source: PubChem / Wikidata; the batch COA governs where values differ.
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