Diethyl cyclopentylmalonate supplier

Name
Diethyl cyclopentylmalonate
EINECS
CAS No. 18928-91-1
Article Data27
CAS DataBase
Density 1.067g/cm³
Solubility
Melting Point
Formula C₁₂H₂₀O₄
Boiling Point 277.9 °C at 760 mmHg
Molecular Weight 228.288
Flash Point 127.6°C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Cyclopentanemalonicacid, diethyl ester (6CI,7CI,8CI);Propanedioic acid, cyclopentyl-, diethylester (9CI);(Cyclopentyl)propanedioic acid diethyl ester;Diethylcyclopentylmalonate;NSC 67358;
PSA 52.60000
LogP 1.91900

Diethyl cyclopentylmalonate Specification

The Diethyl cyclopentylmalonate with the cas number 18928-91-1 is also called Cyclopentanemalonicacid, diethyl ester (6CI,7CI,8CI). The IUPAC name is diethyl 2-cyclopentylpropanedioate. Its molecular formula is C₁₂H₂₀O₄.

The properties of the chemical are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.464; (8)Molar Refractivity: 59 cm³; (9)Molar Volume: 213.8 cm³; (10)Polarizability: 23.39×10^-24cm³; (11)Surface Tension: 37.2 dyne/cm ; (12)Enthalpy of Vaporization: 51.65 kJ/mol ; (13)Vapour Pressure: 0.00441 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of malonic acid diethyl ester and bromocyclopentane. This reaction needs reagent sodium ethylate and ethanol.

Uses: This chemical can prepare Cyclopentylmalonsaeure-monoethylester. This reaction needs reagent KOH and solvent ethanol . The reaction time is 24 hours. The yield is 68%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)C1CCCC1
(2)InChI: InChI=1/C12H20O4/c1-3-15-11(13)10(12(14)16-4-2)9-7-5-6-8-9/h9-10H,3-8H2,1-2H3
(3)InChIKey: WXPOKLNJWFXXQO-UHFFFAOYAB

Product Name

Diethyl cyclopentylmalonate

Diethyl cyclopentylmalonate Specification

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