Ethyl 4-(4-oxocyclohexyl)benzoate supplier

Name
Ethyl 4-(4-oxocyclohexyl)benzoate
EINECS
CAS No. 433211-87-1
Density 1.112g/cm³
Solubility
Melting Point
Formula C₁₅H₁₈O₃
Boiling Point 384.091 °C at 760 mmHg
Molecular Weight 246.306
Flash Point 169.712 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-[4-(Ethoxycarbonyl)phenyl]cyclohexanone;Ethyl 4-(4-oxocyclohexyl)benzoate;
PSA 43.37000
LogP 3.09000

Ethyl 4-(4-oxocyclohexyl)benzoate Specification

The Ethyl 4-(4-oxocyclohexyl)benzoate, with cas registry number 433211-87-1, has the systematic name of ethyl 4-(4-oxocyclohexyl)benzoate. And it is also called benzoic acid, 4-(4-oxocyclohexyl)-, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 104; (6)ACD/BCF (pH 7.4): 104; (7)ACD/KOC (pH 5.5): 969; (8)ACD/KOC (pH 7.4): 969; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 68.651 cm³; (15)Molar Volume: 221.535 cm³; (16)Polarizability: 27.215×10^-24cm³; (17)Surface Tension: 41.298 dyne/cm; (18)Enthalpy of Vaporization: 63.272 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1ccc(cc1)C2CCC(=O)CC2
(2)InChI: InChI=1/C15H18O3/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-6,12H,2,7-10H2,1H3
(3)InChIKey: AVTIPFKCYBJCJO-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C15H18O3/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-6,12H,2,7-10H2,1H3
(5)Std. InChIKey: AVTIPFKCYBJCJO-UHFFFAOYSA-N

Product Name

Ethyl 4-(4-oxocyclohexyl)benzoate

Ethyl 4-(4-oxocyclohexyl)benzoate Specification

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