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5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one

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Name

5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one

EINECS 258-451-6
CAS No. 53263-58-4 Density 1.086g/cm3
PSA 37.30000 LogP 1.81740
Solubility N/A Melting Point N/A
Formula C8H12O2 Boiling Point 260.5 °C at 760 mmHg
Molecular Weight 140.182 Flash Point 108 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 53263-58-4 (5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one) Hazard Symbols N/A
Synonyms

5-Ethyl-2-hydroxy-3-methyl-cyclopent-2-en-1-one;

Article Data 3

5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one Specification

The 5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one, with CAS registry number 53263-58-4, has the systematic name of 5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one. And its IUPAC name is the same one. Besides this, it is also called 2-Cyclopenten-1-one, 2-hydroxy-5-ethyl-3-methyl. What's more, its EINECS is 258-451-6.

Physical properties of 5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.98; (6)ACD/BCF (pH 7.4): 5.89; (7)ACD/KOC (pH 5.5): 125.22; (8)ACD/KOC (pH 7.4): 123.38; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 38.41 cm3; (15)Molar Volume: 129 cm3; (16)Polarizability: 15.22×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Enthalpy of Vaporization: 57.86 kJ/mol; (19)Vapour Pressure: 0.00177 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(/O)=C(/C)CC1CC
(2)InChI: InChI=1/C8H12O2/c1-3-6-4-5(2)7(9)8(6)10/h6,9H,3-4H2,1-2H3
(3)InChIKey: ARHWUYVUNJLMRR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H12O2/c1-3-6-4-5(2)7(9)8(6)10/h6,9H,3-4H2,1-2H3
(5)Std. InChIKey: ARHWUYVUNJLMRR-UHFFFAOYSA-N

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