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Dimethyl malonate

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Dimethyl malonate

EINECS 203-597-8
CAS No. 108-59-8 Density 1.156 g/cm3
Solubility negligible Melting Point -62 °C(lit.)
Formula C5H8O4 Boiling Point 177.1 °C at 760 mmHg
Molecular Weight 132.13 Flash Point 90 °C
Transport Information Appearance liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 108-59-8 (Propanedioicacid, 1,3-dimethyl ester) Hazard Symbols IrritantXi
Synonyms

Malonicacid, dimethyl ester (6CI,8CI);Propanedioic acid, dimethyl ester (9CI);Dimethyl 1,3-propanedioate;Dimethyl propanedioate;Methylmalonate;NSC 620046;Dimethyl Malonate (DMM);Dimethyl malonate;

 

Dimethyl malonate Consensus Reports

Reported in EPA TSCA Inventory.

Dimethyl malonate Specification

Dimethyl malonate, with the CAS NO.108-59-8, is a diester derivative of malonic acid. It is a common reagent for organic synthesis. It is used in the malonic ester synthesis. It is also called Dimethyl ester of malonic acid; Dimethyl propanedioate; dimethyl1,3-propanedioate; dimethylpropanedioate; MALONIC ACID,BIS-METHYL ESTER; MALONIC ACID DIMETHYL ESTER; METHYL MALONATE. Dimethyl malonate should be stored in a cool, dry place. Keep container closed when not in use.

Physical properties about Dimethyl malonate are: (1)ACD/LogP: -0.36; (2)ACD/LogD (pH 5.5): -0.36; (3)ACD/LogD (pH 7.4): -0.36; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 15.19; (7)ACD/KOC (pH 7.4): 15.18; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.402; (11)Molar Refractivity: 28.763 cm3; (12)Molar Volume: 118.034 cm3; (13)Polarizability: 11.403 10-24cm3; (14)Surface Tension: 31.9130001068115 dyne/cm; (15)Density: 1.119 g/cm3; (16)Flash Point: 90 °C; (17)Enthalpy of Vaporization: 41.338 kJ/mol; (18)Boiling Point: 177.071 °C at 760 mmHg; (19)Vapour Pressure: 1.05900001525879 mmHg at 25°C

You can still convert the following datas into molecular structure
(1)InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3;
(2)InChIKey=BEPAFCGSDWSTEL-UHFFFAOYSA-N;
(3)SmilesC(C(OC)=O)C(OC)=O;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 363, 1979.
rat LD50 oral 5331mg/kg (5331mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 363, 1979.

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