4-(Benzoyloxy)cyclohexanone supplier

Name
4-(Benzoyloxy)cyclohexanone
EINECS
CAS No. 23510-95-4
Article Data15
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point 64-65℃
Formula C₁₃H₁₄O₃
Boiling Point 344.7 °C at 760 mmHg
Molecular Weight 218.252
Flash Point 152.3 °C
Transport Information
Appearance off-white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanone,4-hydroxy-, benzoate (6CI,7CI,8CI);4-(Benzoyloxy)cyclohexanone;4-Oxocyclohexyl benzoate;Benzoic acid 4-oxocyclohexyl ester;NSC 51499;
PSA 43.37000
LogP 2.35510

4-(Benzoyloxy)cyclohexanone Specification

The Cyclohexanone,4-(benzoyloxy)-, with the CAS registry number 23510-95-4, is also known as 4-(Benzoyloxy)cyclohexanone and Benzoic acid 4-oxocyclohexyl ester. This chemical's molecular formula is C₁₃H₁₄O₃ and molecular weight is 218.24846. What's more, its IUPAC name is (4-Oxocyclohexyl) benzoate.

Physical properties about Cyclohexanone,4-(benzoyloxy)- are: (1) ACD/LogP: 2.23; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 43.37 Å²; (7) Index of Refraction: 1.543; (8) Molar Refractivity: 59.07 cm³; (9) Molar Volume: 187.3 cm³; (10) Polarizability: 23.41×10^-24 cm³; (11) Surface Tension: 44.2 dyne/cm; (12) Density: 1.16 g/cm³; (13) Flash Point: 152.3 °C; (14) Enthalpy of Vaporization: 58.87 kJ/mol; (15) Boiling Point: 344.7 °C at 760 mmHg; (16) Vapour Pressure: 6.47E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1CCC(=O)CC1)c2ccccc2
(2) InChI: InChI=1/C13H14O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-5,12H,6-9H2
(3) InChIKey: VFICJPDIBDJAGL-UHFFFAOYAC

Product Name

4-(Benzoyloxy)cyclohexanone

4-(Benzoyloxy)cyclohexanone Specification

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