DIETHYL BENZYL MALONATE

PRODUCT IDENTIFICATION
CAS NO. 607-81-8

DIETHYL BENZYL MALONATE

EINECS NO. 210-142-7
FORMULA C6H5CH2CH(COOC2H5)2
MOL WT. 250.29

H.S. CODE

 2917.39
SMILES

 

TOXICITY

  
SYNONYMS Diethyl-2-benzylmalonate;
Benzylmalonic acid diethyl ester; Benzyl-Malonic acid, diethyl ester; Malonic acid, 2-benzyl-, diethyl ester; Benzylpropanedioic acid diethyl ester;

CLASSIFICATION

  

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE

clear to pale yellow liquid

MELTING POINT  
BOILING POINT 296 - 298 C
SPECIFIC GRAVITY

1.06 - 1.07

SOLUBILITY IN WATER Insoluble
pH  
VAPOR DENSITY

 

REFRACTIVE INDEX

 

NFPA RATINGS

 Health: 1; Flammability: 1; Reactivity: 0

AUTOIGNITION

 1.4868

FLASH POINT

> 110 C

STABILITY Stable under ordinary conditions. Moisture sensitive.

GENERAL DESCRIPTION & APPLICATIONS
Malonic acid (also called Propanedioic Acid ) is a white crystalline C-3 dicarboxylic acid; melting at 135 -136 C; readily soluble in water, alcohol and ether; solution in water is medium-strong acidic. It can be derived by oxidizing malic acid or by the hydrolysis of cyanacetic acid. Malonic acid itself is rather unstable and has few applications. It's diethyl ester (diethyl malonate) is more important commercially. Diethyl malonate, a colourless, fragrant liquid boiling at 199 C, is prepared by the reaction of monochloroacetatic acid with methanol, carbon monoxide or by the reaction cyanoacetic acid (the half nitriled-malonic acid) with ethyl alcohol. Malonic acid and its esters contain active methylene groups which have relatively acidic alpha-protons due to H atoms adjacent to two carbonyl groups. The reactivity of its methylene group provide the sequence of reactions of alkylation, hydrolysis of the esters and decarboxylation resulting in substituted ketones. The methylene groups in 1,3-dicarboxylic acid utilize the synthesis of barbiturates; a hydrogen atom is removed by sodium ethoxide, and the derivative reacts with an alkyl halide to form a diethyl alkylmalonate. The diethyl dialkylmalonates are converted to barbiturates by reaction with urea. Malonic acid and its esters are characterized by the large number of condensation products. They are important intermediates in syntheses of vitamins B1 and B6, barbiturates, non-steroidal anti-inflammatory agents, other numerous pharmaceuticals, agrochemicals and flavors & fragrances compounds.
SALES SPECIFICATION

APPEARANCE

clear to pale yellow liquid

ASSAY

98.0% in

ACID VALUE

 1 max (mg KOH/g)

MOISTURE

 0.1% max
TRANSPORTATION
PACKING
200kgs in Drum
HAZARD CLASS Not regulated
UN NO.  
OTHER INFORMATION
Hazard Symbols: n/a, Risk Phrases: 36/38, Safety Phrases: 26-36