Propanedioic acid,2-(2-oxopropyl)-, 1,3-dimethyl ester supplier

Name
ACETONYLMALONIC ACID DIMETHYL ESTER
EINECS
CAS No. 24889-15-4
Article Data1
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₈H₁₂O₅
Boiling Point 262.739 °C at 760 mmHg
Molecular Weight 188.18
Flash Point 111.135 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanedioic acid, (2-oxopropyl)-,dimethyl ester (9CI);Dimethyl acetonylmalonate;Malonicacid, acetonyl-, dimethyl ester (8CI);
PSA 69.67000
LogP -0.07230

Propanedioic acid,2-(2-oxopropyl)-, 1,3-dimethyl ester Specification

The Propanedioic acid,2-(2-oxopropyl)-, 1,3-dimethyl ester, with the CAS registry number 24889-15-4, is also known as 2-Oxopropylmalonic acid dimethyl ester. This chemical's molecular formula is C₈H₁₂O₅ and molecular weight is 188.17788. Its IUPAC name is called dimethyl 2-(2-oxopropyl)propanedioate.

Physical properties of Propanedioic acid,2-(2-oxopropyl)-, 1,3-dimethyl ester: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 18.137; (4)ACD/KOC (pH 7.4): 18.137; (5)#H bond acceptors: 5; (6)#Freely Rotating Bonds: 6; (7)Index of Refraction: 1.43; (8)Molar Refractivity: 42.65 cm³; (9)Molar Volume: 165.05 cm³; (10)Surface Tension: 35.312 dyne/cm; (11)Density: 1.14 g/cm³; (12)Flash Point: 111.135 °C; (13)Enthalpy of Vaporization: 50.054 kJ/mol; (14)Boiling Point: 262.739 °C at 760 mmHg; (15)Vapour Pressure: 0.011 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(2,2-dimethoxy-propyl)-malonic acid dimethyl ester. This reaction will need reagent aq. HCl. The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC(C(=O)OC)C(=O)OC
(2)InChI: InChI=1S/C8H12O5/c1-5(9)4-6(7(10)12-2)8(11)13-3/h6H,4H2,1-3H3
(3)InChIKey: KFTGUZGYWNARRQ-UHFFFAOYSA-N

Product Name

ACETONYLMALONIC ACID DIMETHYL ESTER

Propanedioic acid,2-(2-oxopropyl)-, 1,3-dimethyl ester Specification

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