Cyclopentanecarboxylicacid, 2-oxo-, butyl ester supplier

Name
Butylcyclopentanone-2-carboxylic acid
EINECS
CAS No. 6627-69-6
Density 1.068 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₆O₃
Boiling Point 264.2 °C at 760 mmHg
Molecular Weight 184.235
Flash Point 111.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyl2-oxocyclopentanecarboxylate;Butylcyclopentanon-2-carboxylsre;
PSA 43.37000
LogP 1.69890

Cyclopentanecarboxylicacid, 2-oxo-, butyl ester Specification

The CAS register number of Cyclopentanecarboxylicacid, 2-oxo-, butyl ester is 6627-69-6. It also can be called as Butylcyclopentanon-2-carboxylsre and the systematic name about this chemical is butyl 2-oxocyclopentanecarboxylate. The molecular formula about this chemical is C₁₀H₁₆O₃ and the molecular weight is 184.23224.

Physical properties about Cyclopentanecarboxylicacid, 2-oxo-, butyl ester are: (1)ACD/LogP: 1.32; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 43.37 Å²; (5)Index of Refraction: 1.469; (6)Molar Refractivity: 48.03 cm³; (7)Molar Volume: 172.3 cm³; (8)Polarizability: 19.04x10^-24cm³; (9)Surface Tension: 38.6 dyne/cm; (10)Density: 1.068 g/cm³; (11)Flash Point: 111.1 °C; (12)Enthalpy of Vaporization: 50.21 kJ/mol; (13)Boiling Point: 264.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00983 mmHg at 25 °C.

Preparation: this chemical can be prepared by butan-1-ol and 2-oxo-cyclopentanecarboxylic acid ethyl ester. This reaction will need reagent of N-bromosuccinimide and solvent of toluene. The reaction time is 4 hours with reaction temperature of 90 - 100 °C. The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCC)C1C(=O)CCC1
(2)InChI: InChI=1/C10H16O3/c1-2-3-7-13-10(12)8-5-4-6-9(8)11/h8H,2-7H2,1H3
(3)InChIKey: QYSLBQOEWQZYPF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H16O3/c1-2-3-7-13-10(12)8-5-4-6-9(8)11/h8H,2-7H2,1H3
(5)Std. InChIKey: QYSLBQOEWQZYPF-UHFFFAOYSA-N

Product Name

Butylcyclopentanone-2-carboxylic acid

Cyclopentanecarboxylicacid, 2-oxo-, butyl ester Specification

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