Diethyl malonate (CAS 105-53-3) — formula C7H12O4, molecular weight 160.07 g/mol.
Diethyl malonate is a chemical compound with CAS registry number 105-53-3 and molecular formula C7H12O4 (molecular weight 160.07 g/mol).
CAS number: 105-53-3
Its molecular formula C7H12O4 comprises 7 C, 12 H, 4 O atoms.
Also known as: Diethyl malonate · Ethyl malonate
The CAS registry number of Diethyl malonate is 105-53-3.
Molecular formula C7H12O4, molecular weight 160.07 g/mol.
It is also registered under: Diethyl malonate, Ethyl malonate.
Public-database records for Diethyl malonate (CAS 105-53-3), reproduced here for independent cross-checking.
| GHS notification summary | 2.7% (69 / 2532) |
|---|---|
| Reported hazard statements | H319 (96.9%), H227, H402 |
This chemical does not meet GHS hazard criteria for 2.7% (69 of 2532) of reports.
H319 (96.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Apple Not evaluated |
|---|---|
| GHS notification summary | 2.7% (69 / 2532) |
| 沸点 | 200 °C |
|---|---|
| 沸点 | 199.00 to 200.00 °C. @ 760.00 mm Hg |
| 沸点 | 199 °C |
| 沸点 | 199-200 °C |
| 沸点 | 198.9 °C @760 [mm Hg] |
| 熔点 | -50 °C |
| 熔点 | -49.8 °C |
| 闪点 | 200 °F (93 °C) (open cup) |
| 闪点 | 85 °C c.c. |
| 溶解度 | In water, 20 g/L at 20 °C |
| CAS Registry Number | 105-53-3 |
|---|---|
| PubChem CID | 7761 |
| 分子式 | C7H12O4 |
| 分子量 | 160.07 g/mol |
| IUPAC 名称 | diethyl propanedioate |
| InChIKey | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
| UNII(FDA) | 53A58PA183 |
| ChEBI 编号 | CHEBI:167785 |
| FEMA 编号 | 2375 |
| JECFA 编号 | 614 |
DIETHYL MALONATE; 105-53-3; Diethyl propanedioate; Ethyl malonate; Malonic ester; Propanedioic acid, diethyl ester; Carbethoxyacetic ester; Malonic acid, diethyl ester; Dicarbethoxymethane; 1,3-diethyl propanedioate; Ethyl propanedioate; Ethyl methanedicarboxylate; Methanedicarboxylic acid, diethyl ester; FEMA No. 2375; DTXSID7021863; Propanedioic acid, 1,3-diethyl ester
| 分子量 | 160.17 |
|---|---|
| XLogP3 | 1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 6 |
| 精确质量 | 160.07355886 |
| 单同位素质量 | 160.07355886 |
| 拓扑极性表面积 | 52.6 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
Diethyl malonate is identified by CAS 105-53-3, molecular formula C7H12O4 and molecular weight 160.07 g/mol. UNII 53A58PA183; ChEBI 167785; InChIKey IYXGSMUGOJNHAZ-UHFFFAOYSA-N. 沸点: 200 °C; 沸点: 199.00 to 200.00 °C. @ 760.00 mm Hg; 沸点: 199 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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