4-Cyclopentyl-3-oxobutyric acid ethyl ester supplier

Name
4-CYCLOPENTYL-3-OXO-BUTYRIC ACID ETHYL ESTER
EINECS
CAS No. 68104-99-4
Article Data4
CAS DataBase
Density 1.028 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₈O₃
Boiling Point 273.002 °C at 760 mmHg
Molecular Weight 198.262
Flash Point 114.618 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Cyclopentyl-3-oxobutanoicacid ethyl ester;Ethyl 4-cyclopentyl-3-oxobutanoate;Ethyl 4-cyclopentyl-3-oxobutyrate;
PSA 43.37000
LogP 2.08900

4-Cyclopentyl-3-oxobutyric acid ethyl ester Specification

The Cyclopentanebutanoicacid, beta-oxo-, ethyl ester, with the CAS registry number 68104-99-4, is also known as Ethyl 4-cyclopentyl-3-oxobutyrate. This chemical's molecular formula is C₁₁H₁₈O₃ and formula weight is 198.26. What's more, its IUPAC name is ethyl 4-cyclopentyl-3-oxobutanoate.

Physical properties of Cyclopentanebutanoicacid, beta-oxo-, ethyl ester are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/BCF (pH 5.5): 72; (5)ACD/BCF (pH 7.4): 71; (6)ACD/KOC (pH 5.5): 740; (7)ACD/KOC (pH 7.4): 739; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 43.37 Å²; (12)Index of Refraction: 1.459; (13)Molar Refractivity: 52.721 cm³; (14)Molar Volume: 192.917 cm³; (15)Surface Tension: 36.218 dyne/cm; (16)Density: 1.028 g/cm³; (17)Flash Point: 114.618 °C; (18)Enthalpy of Vaporization: 51.132 kJ/mol; (19)Boiling Point: 273.002 °C at 760 mmHg; (20)Vapour Pressure: 0.006 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CC(=O)CC1CCCC1
(2)InChI: InChI=1S/C11H18O3/c1-2-14-11(13)8-10(12)7-9-5-3-4-6-9/h9H,2-8H2,1H3
(3)InChIKey: NSNBPUDFVSNTOM-UHFFFAOYSA-N

Product Name

4-CYCLOPENTYL-3-OXO-BUTYRIC ACID ETHYL ESTER

4-Cyclopentyl-3-oxobutyric acid ethyl ester Specification

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