DIETHYL 3-CHLOROPROPYLMALONATE

PRODUCT IDENTIFICATION

CAS NO. 18719-43-2

DIETHYL 3-CHLOROPROPYL MALONATE

EINECS NO.

 

FORMULA CH2Cl(CH2)2CH(COOC2H5)2
MOL WT. 236.69

H.S. CODE

2922.49

SMILES

 

TOXICITY

 
SYNONYMS (3-chloropropyl)-Propanedioic acid, diethyl ester;
Ethyl 3-chloropropyl malonate; 3-chloropropyl malonic acid, diethyl ester;

CLASSIFICATION

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE

clear to pale yellow liquid

MELTING POINT  
BOILING POINT 136 C at 5 hPa
SPECIFIC GRAVITY

1.10

SOLUBILITY IN WATER  
pH  
VAPOR DENSITY

 

REFRACTIVE INDEX

 

NFPA RATINGS

Health: 1; Flammability: 1; Reactivity: 0

AUTOIGNITION

 

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