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2412-73-9

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Basic Information
CAS No.: 2412-73-9
Name: cyclohexyl benzoate
Article Data: 146
Molecular Structure:
Molecular Structure of 2412-73-9 (cyclohexyl benzoate)
Formula: C13H16O2
Molecular Weight: 204.269
Synonyms: Benzoicacid cyclohexanyl ester;Cyclohexanol, benzoate;Cyclohexyl benzoate;Hexahydrophenyl benzoate;
EINECS: 219-319-3
Density: 1.07 g/cm3
Melting Point: <-10 °C
Boiling Point: 285 °C at 760 mmHg
Flash Point: 132.7 °C
PSA: 26.30000
LogP: 3.17610
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Specification

The Benzoic acid,cyclohexyl ester, with the CAS registry number 2412-73-9, is also known as AI3-02126. Its EINECS registry number is 219-319-3. This chemical's molecular formula is C13H16O2 and molecular weight is 204.2649. Its systematic name is called Cyclohexyl benzoate.

Physical properties of Benzoic acid,cyclohexyl ester: (1)ACD/LogP: 4.26; (2)ACD/LogD (pH 5.5): 4.26; (3)ACD/LogD (pH 7.4): 4.26; (4)ACD/BCF (pH 5.5): 1009.73; (5)ACD/BCF (pH 7.4): 1009.73; (6)ACD/KOC (pH 5.5): 4920.52; (7)ACD/KOC (pH 7.4): 4920.52; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.531; (11)Molar Refractivity: 58.95 cm3; (12)Molar Volume: 190.3 cm3; (13)Surface Tension: 39.8 dyne/cm; (14)Density: 1.07 g/cm3; (15)Flash Point: 132.7 °C; (16)Enthalpy of Vaporization: 52.4 kJ/mol; (17)Boiling Point: 285 °C at 760 mmHg; (18)Vapour Pressure: 0.00288 mmHg at 25°C.

Preparation of Benzoic acid,cyclohexyl ester: this chemical can be prepared by cyclohexanol and benzoyl chloride. This reaction will need reagent pyridine.

Benzoic acid,cyclohexyl ester can be prepared by cyclohexanol and benzoyl chloride

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CCCCC1)c2ccccc2
(2)InChI: InChI=1/C13H16O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
(3)InChIKey: DQZKGSRJOUYVPL-UHFFFAOYAC