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Dimethyl isobutylmalonate

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Name

Dimethyl isobutylmalonate

EINECS 254-490-8
CAS No. 39520-24-6 Density 1.012
PSA 52.60000 LogP 0.99470
Solubility N/A Melting Point N/A
Formula C9H16 O4 Boiling Point 213 ºC
Molecular Weight 188.224 Flash Point 208 ºF
Transport Information N/A Appearance colorless to light yellow clear liquid
Safety S26;S36 Risk Codes R36/37/38   
Molecular Structure Molecular Structure of 39520-24-6 (Dimethyl isobutylmalonate) Hazard Symbols
Synonyms

Propanedioicacid, (2-methylpropyl)-, dimethyl ester (9CI); Dimethyl isobutylmalonate

Article Data 8

Dimethyl isobutylmalonate Chemical Properties

Molecular structure of  Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester (CAS NO.39520-24-6):

IUPAC Name: Dimethyl 2-(2-methylpropyl)propanedioate 
Molecular Weight: 188.22094 [g/mol]
Molecular Formula: C9H16O4 
Index of Refraction: 1.424
Molar Refractivity: 47.21 cm3
Molar Volume: 184.8 cm3
Surface Tension: 30.5 dyne/cm
Density: 1.018 g/cm3
Flash Point: 89.4 °C
Enthalpy of Vaporization: 44.32 kJ/mol
Boiling Point: 207 °C at 760 mmHg
Vapour Pressure: 0.231 mmHg at 25 °C
XLogP3-AA: 1.9
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 188.104859
MonoIsotopic Mass: 188.104859
Topological Polar Surface Area: 52.6
Heavy Atom Count: 13 
Canonical SMILES: CC(C)CC(C(=O)OC)C(=O)OC
InChI: InChI=1S/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3
InChIKey: GAZFDPSEEIVCEX-UHFFFAOYSA-N
EINECS: 254-490-8 
Product Categories: Pharmaceutical Intermediates; TheMalonateRamificationProducts

Dimethyl isobutylmalonate Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3

Dimethyl isobutylmalonate Specification

 Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester (CAS NO.39520-24-6) is also called Malonic acid, isobutyl-, dimethyl ester ; Dimethyl isobutylmalonate ; Propanedioic acid, (2-methylpropyl)-, dimethyl ester ; Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester . Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester (CAS NO.39520-24-6) is clear colorless to light yellow liquid.

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