Ethyl 3-oxocyclopentane-1-carboxylate supplier

Name
ethyl 3-oxocyclopentane-1-carboxylate
EINECS
CAS No. 5400-79-3
Article Data12
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₈H₁₂O₃
Boiling Point 228.2 °C at 760 mmHg
Molecular Weight 156.181
Flash Point 93.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 3-oxocyclopentanecarboxylate;3-Oxo-cyclopentanecarboxylic acid ethyl ester;
PSA 43.37000
LogP 0.91870

Ethyl 3-oxocyclopentane-1-carboxylate Specification

The CAS registry number of Cyclopentanecarboxylicacid, 3-oxo-, ethyl ester is 5400-79-3. In addition, the molecular formula is C₈H₁₂O₃ and the molecular weight is 156.18. The systematic name is ethyl 3-oxocyclopentanecarboxylate. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties of Cyclopentanecarboxylicacid, 3-oxo-, ethyl ester: (1)ACD/LogP: 0.05; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 43.37 Å²; (5)Index of Refraction: 1.468; (6)Molar Refractivity: 38.77 cm³; (7)Molar Volume: 139.3 cm³; (8)Polarizability: 15.37 ×10^-24cm³; (9)Surface Tension: 39.5 dyne/cm; (10)Density: 1.12 g/cm³; (11)Flash Point: 93.4 °C; (12)Enthalpy of Vaporization: 46.48 kJ/mol; (13)Boiling Point: 228.2 °C at 760 mmHg; (14)Vapour Pressure: 0.0743 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC(C(=O)OCC)C1
(2)InChI: InChI=1/C8H12O3/c1-2-11-8(10)6-3-4-7(9)5-6/h6H,2-5H2,1H3
(3)InChIKey: VGJWAMLZUUGEQY-UHFFFAOYAV

Product Name

ethyl 3-oxocyclopentane-1-carboxylate

Ethyl 3-oxocyclopentane-1-carboxylate Specification

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