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Basic Information
CAS No.: 13195-64-7
Name: Diisopropyl malonate
Article Data: 22
Molecular Structure:
Molecular Structure of 13195-64-7 (Diisopropyl malonate)
Formula: C9H16O4
Molecular Weight: 188.224
Synonyms: Malonicacid, diisopropyl ester (7CI,8CI);Propanedioic acid, bis(1-methylethyl) ester(9CI);Propanedioic acid,1,3-bis(1-methylethyl) ester;
EINECS: 236-156-3
Density: 1.018 g/cm3
Melting Point: -51°C(lit.)
Boiling Point: 207 °C at 760 mmHg
Flash Point: 89.4 °C
Appearance: clear liquid
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety: 26-36
PSA: 52.60000
LogP: 1.27970
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Chemistry


IUPAC Name: Dipropan-2-yl propanedioate
Canonical SMILES: CC(C)OC(=O)CC(=O)OC(C)C
InChI: InChI=1S/C9H16O4/c1-6(2)12-8(10)5-9(11)13-7(3)4/h6-7H,5H2,1-4H3
InChIKey: QRVSDVDFJFKYKA-UHFFFAOYSA-N
Molecular Weight: 188.22094 [g/mol]
Molecular Formula: C9H16O4
XLogP3-AA: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 4 
EINECS: 236-156-3 
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
Product Categories of Diisopropyl malonate (CAS NO.13195-64-7): API intermediates; C8 to C9; Carbonyl Compounds;Esters

Uses

 Diisopropyl malonate (CAS NO.13195-64-7) is used as an important pharmaceutical intermediate. It is the intermediate for the production of fungicide isoprothiolane.

Safety Profile

Safty informations about Diisopropyl malonate (CAS NO.13195-64-7):
Hazard Codes:Xi
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

Specification

 Diisopropyl malonate (CAS NO.13195-64-7), its Synonyms are Propanedioic acid, bis(1-methylethyl) ester ; Propanedioic acid, bis(1-methylethyl) ester(9CI) ; Malonicacid, diisopropyl ester (7CI,8CI) .