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CAS No.: | 23193-18-2 |
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Name: | ACETONYLMALONIC ACID DIETHYL ESTER |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C10H16O5 |
Molecular Weight: | 216.234 |
Synonyms: | Malonicacid, acetonyl-, diethyl ester (6CI,8CI);Propanedioic acid, (2-oxopropyl)-,diethyl ester (9CI);Diethyl 2-(2-oxopropyl)malonate;Diethyl2-oxopropylmalonate;Diethyl acetonylmalonate; |
Density: | 1.092 g/cm3 |
Boiling Point: | 296.36 °C at 760 mmHg |
Flash Point: | 126.899 °C |
PSA: | 69.67000 |
LogP: | 0.70790 |
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The Propanedioic acid,2-(2-oxopropyl)-, 1,3-diethyl ester, with the CAS registry number 23193-18-2, is also known as Acetonylmalonic acid diethyl ester. This chemical's molecular formula is C10H16O5 and molecular weight is 216.23. Its IUPAC name is called diethyl 2-(2-oxopropyl)propanedioate.
Physical properties of Propanedioic acid,2-(2-oxopropyl)-, 1,3-diethyl ester: (1)ACD/LogP: 0.80; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 8; (4)Index of Refraction: 1.437; (5)Molar Refractivity: 51.916 cm3; (6)Molar Volume: 198.064 cm3; (7)Surface Tension: 35.047 dyne/cm; (8)Density: 1.092 g/cm3; (9)Flash Point: 126.899 °C; (10)Enthalpy of Vaporization: 53.613 kJ/mol; (11)Boiling Point: 296.36 °C at 760 mmHg; (12)Vapour Pressure: 0.001 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-bromo-propan-2-one and Natriummalonsaeure-diaethylester. This reaction will need reagent diethyl ether.
Uses of Propanedioic acid,2-(2-oxopropyl)-, 1,3-diethyl ester: it can be used to produce 4-methyl-bicyclo[3.2.0]hept-4-ene-2,2-dicarboxylic acid diethyl ester. This reaction will need reagent NaH.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(CC(=O)C)C(=O)OCC
(2)InChI: InChI=1S/C10H16O5/c1-4-14-9(12)8(6-7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3
(3)InChIKey: KGZCSZOGMMZHKB-UHFFFAOYSA-N