105-53-3
Product Name:
Diethyl malonate
Formula:
C7H12O4
Synonyms:
Diethyl malonate;Ethyl malonate, Malonic acid diethyl ester;Malonic acid diethyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Liquid, Other Solid |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Sweet ester odor |
| Taste | Sweet and fruity taste with apple and pineapple nuances |
| Boiling Point | 200 °C |
| Melting Point | -50 °C |
| Flash Point | 200 °F (93 °C) (open cup) |
| Solubility | In water, 20 g/L at 20 °C |
| Density | 1.0551 g/cu cm at 20 °C |
| Vapor Density | 5.52 (Air = 1) |
| Vapor Pressure | 0.26 [mmHg] |
| LogP | log Kow = 0.96 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 435 °C |
| Decomposition | Hazardous decomposition products formed under fire conditions. - Carbon oxides |
| Viscosity | 1.86 centistokes at 25 °C |
| Heat of Vaporization | 64.7 kJ/mol |
| Refractive Index | Index of Refraction: 1.4139 at 20 °C |
| Kovats Retention Index | 1038 1035 1033 1033.3 1078 1083 1029 1032 1033 1034 1034 1043 1043 1040 1032 1035 |
| Other Experimental Properties | Henry's Law constant = 2.0X10-6 atm-cu m/mole at 25 °C (estimated from vapor pressure and water solubility) |
| Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 160.17 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 160.07355886 g/mol |
| Monoisotopic Mass | 160.07355886 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 125 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Diethyl malonate, also known as DEM. It occurs naturally in grapes and strawberries as a colourless liquid with an apple-like odour, and is used in perfumes. It is also used to synthesize other compounds such as barbiturates, artificial flavourings, vitamin B1, and vitamin B6.