Diethyl isobutylmalonate supplier

Name
Diethyl isobutylmalonate
EINECS 233-504-6
CAS No. 10203-58-4
Article Data32
CAS DataBase
Density 0.992 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀O₄
Boiling Point 255 °C at 760 mmHg
Molecular Weight 216.277
Flash Point 103.1 °C
Transport Information
Appearance clear liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malonicacid, isobutyl-, diethyl ester (6CI,7CI,8CI);Propanedioic acid,(2-methylpropyl)-, diethyl ester (9CI);(2-Methylpropyl)propanedioic aciddiethyl ester;Ethyl2-ethoxycarbonyl-4-methylvalerate;NSC 68522;diethyl (2-methylpropyl)propanedioate;diethyl 2-(2-methylpropyl)propanedioate;propanedioic acid, 2-(2-methylpropyl)-, diethyl ester;
PSA 52.60000
LogP 1.77490

Diethyl isobutylmalonate Specification

The Diethyl isobutylmalonate, with the CAS registry number 10203-58-4 and EINECS registry number 233-504-6, has the IUPAC name of diethyl 2-(2-methylpropyl)propanedioate. It belongs to the product category of Pharmaceutical Intermediates, and the molecular formula of the chemical is C₁₁H₂₀O₄. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The physical properties of Diethyl isobutylmalonate are as followings: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.66; (6)ACD/BCF (pH 7.4): 43.66; (7)ACD/KOC (pH 5.5): 519.51; (8)ACD/KOC (pH 7.4): 519.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 56.47 cm³; (15)Molar Volume: 217.8 cm³; (16)Polarizability: 22.38×10^-24cm³; (17)Surface Tension: 31 dyne/cm; (18)Density: 0.992 g/cm³; (19)Flash Point: 103.1 °C; (20)Enthalpy of Vaporization: 49.25 kJ/mol; (21)Boiling Point: 255 °C at 760 mmHg; (22)Vapour Pressure: 0.0167 mmHg at 25°C.

Uses of Diethyl isobutylmalonate: It can react with urea to produce 5-isobutyl-pyrimidine-2,4,6-trione. This reaction will need reagent NaOEt, and the menstruum ethanol. The reaction time is 6 hours with heating, and the yield is about 85%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)CC(C)C
(2)InChI: InChI=1/C11H20O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3
(3)InChIKey: OFRFGNSZCYDFOH-UHFFFAOYAH

Product Name

Diethyl isobutylmalonate

Diethyl isobutylmalonate Specification

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