丙二酸二乙酯（CAS 105-53-3）：分子式 C7H12O4、分子量 160.17。
| CAS号 | 105-53-3 |
|---|---|
| 分子式 | C7H12O4 |
| 分子量 | 160.17 |
| 熔点 | -50 °C |
| 沸点 | 200 °C |
| LogP | 1 |
丙二酸二乙酯 是一种化工化合物，登记 CAS 号为 105-53-3，分子式 C7H12O4（分子量 160.17）。
登记 CAS 号：105-53-3
其分子式 C7H12O4 由 7 个碳、12 个氢、4 个氧 组成。
别名/同义词：丙二酸二乙酯 · Ethyl malonate · Diethyl malonate
丙二酸二乙酯 的 CAS 登记号为 105-53-3。
分子式 C7H12O4，分子量 160.17。
别名/同义词：丙二酸二乙酯、Ethyl malonate、Diethyl malonate。
丙二酸二乙酯（CAS 105-53-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 105-53-3 |
|---|---|
| PubChem CID | 7761 |
| Molecular formula | C7H12O4 |
| Molecular weight | 160.07 g/mol |
| IUPAC name | diethyl propanedioate |
| InChIKey | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
| UNII (FDA) | 53A58PA183 |
| ChEBI ID | CHEBI:167785 |
| FEMA number | 2375 |
| JECFA number | 614 |
| Molecular Weight | 160.17 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 160.07355886 |
| Monoisotopic Mass | 160.07355886 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 11 |
| Boiling Point | 200 °C |
|---|---|
| Boiling Point | 199.00 to 200.00 °C. @ 760.00 mm Hg |
| Boiling Point | 199 °C |
| Boiling Point | 199-200 °C |
| Boiling Point | 198.9 °C @760 [mm Hg] |
| Melting Point | -50 °C |
| Melting Point | -49.8 °C |
| Flash Point | 200 °F (93 °C) (open cup) |
| Flash Point | 85 °C c.c. |
| Solubility | In water, 20 g/L at 20 °C |
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
| 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) |
| 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]
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. Boiling Point: 200 °C; Boiling Point: 199.00 to 200.00 °C. @ 760.00 mm Hg; Boiling Point: 199 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Ethyl malonate