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CAS No.: | 2412-73-9 |
---|---|
Name: | cyclohexyl benzoate |
Article Data: | 146 |
Molecular Structure: | |
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 |
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.
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