Diethyl malonate (CAS 105-53-3) — formula C7H12O4, molecular weight 160.07 g/mol; category food flavors.
Diethyl malonate (CAS 105-53-3) is a chemical raw material in the food flavors category. Its molecular formula C7H12O4 comprises 7 C, 12 H, 4 O atoms. Its molecular weight is about 160.07 g/mol. Reported physicochemical data: melting point around -50 °C, boiling point around 200 °C, LogP about 1. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 105-53-3 |
|---|---|
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.07 g/mol |
| Melting Point | -50 °C |
| Boiling Point | 200 °C |
| LogP | 1 |
| Applications | CIR ingredient: Diethyl Malonate, Used to make barbiturates and pigments and as a flavoring, Used to make agrochemicals and industrial chemicals, Dimethyl and diethyl malonates are widely used for the production of vitamins, pharmaceuticals, agrochemicals |
| Category | Flavors |
Documented applications: CIR ingredient: Diethyl Malonate, Used to make barbiturates and pigments and as a flavoring, Used to make agrochemicals and industrial chemicals, Dimethyl and diethyl malonates are widely used for the production of vitamins, pharmaceuticals, agrochemicals.
Diethyl malonate is a flavoring compound with CAS registry number 105-53-3 and molecular formula C7H12O4 (molecular weight 160.07 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 105-53-3
Its molecular formula C7H12O4 comprises 7 C, 12 H, 4 O atoms.
Also known as: Diethyl malonate · Ethyl malonate
Category: food flavors
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.
Recorded applications: CIR ingredient: Diethyl Malonate, Used to make barbiturates and pigments and as a flavoring, Used to make agrochemicals and industrial chemicals, Dimethyl and diethyl malonates are widely used for the production of vitamins, pharmaceuticals, agrochemicals.
Category: Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Diethyl malonate (CAS 105-53-3), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: Diethyl malonate