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.
RELATED SUPPLIERS
Delta Chemsol
Mumbai
product:Liquid Diethyl Malonate (DEM), For Industrial, Grade Standard: Technical Grade