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CAS No.: | 1797-75-7 |
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Name: | DIALLYL MALONATE |
Molecular Structure: | |
Formula: | C9H12O4 |
Molecular Weight: | 184.192 |
Synonyms: | Malonicacid, diallyl ester (6CI,7CI,8CI);Propanedioic acid, di-2-propenyl ester(9CI);Diallyl malonate;MRC 2P55;NSC 20961; |
Density: | 1.057 g/cm3 |
Boiling Point: | 233.5 °C at 760 mmHg |
Flash Point: | 107.8 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 52.60000 |
LogP: | 0.83490 |
This chemical is called Propanedioic acid, 1,3-di-2-propen-1-yl ester, and its CAS registry number is 184.19. With the molecular formula of C9H12O4, its molecular weight is 184.19.
Other characteristics of the Propanedioic acid, 1,3-di-2-propen-1-yl ester can be summarised as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.449; (8)Molar Refractivity: 46.74 cm3; (9)Molar Volume: 174.2 cm3; (10)Polarizability: 18.53×10-24cm3; (11)Surface Tension: 33 dyne/cm; (12)Density: 1.057 g/cm3; (13)Flash Point: 107.8 °C; (14)Enthalpy of Vaporization: 47.02 kJ/mol; (15)Boiling Point: 233.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0557 mmHg at 25°C.
Uses of this chemical: The 2-pyren-1-ylmethylene-malonic acid diallyl ester could be obtained by the reactants of pyrene-1-carbaldehyde and Propanedioic acid, 1,3-di-2-propen-1-yl ester. This reaction needs the reagent of piperidine, AcOH, and the solvent of benzene. The yield is 89 %. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC\C=C)CC(=O)OC\C=C
2.InChI: InChI=1/C9H12O4/c1-3-5-12-8(10)7-9(11)13-6-4-2/h3-4H,1-2,5-7H2
3.InChIKey: AOESAXAWXYJFNC-UHFFFAOYAQ