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The CAS registry number of 4-(4-Hydroxyphenyl)cyclohexanone is 105640-07-1. Its EINECS registry number is 423-920-8. In addition, the molecular formula is C12H14O2 and the molecular weight is 190.24. The IUPAC name is 4-(4-hydroxyphenyl)cyclohexan-1-one. Besides, it should be stored in sealed container, and put in a cool and dry place. The storage place must stay away from oxidant.
Physical properties about this chemical are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 11.79; (5)ACD/BCF (pH 7.4): 11.77; (6)ACD/KOC (pH 5.5): 203.56; (7)ACD/KOC (pH 7.4): 203.16; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 54.12 cm3; (14)Molar Volume: 165.5 cm3; (15)Polarizability: 21.45 ×10-24cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.149 g/cm3; (18)Flash Point: 152.3 °C; (19)Enthalpy of Vaporization: 62.64 kJ/mol; (20)Boiling Point: 357.2 °C at 760 mmHg; (21)Vapour Pressure: 1.34E-05 mmHg at 25°C.
Uses of 4-(4-Hydroxyphenyl)cyclohexanone: it can react with chloromethyl-benzene to get 4-(4-benzyloxy-phenyl)-cyclohexanone. This reaction will need reagent NaOH and solvent H2O. The reaction time is 5 hours. And the yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CCC(c1ccc(O)cc1)CC2
(2)InChI: InChI=1/C12H14O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10,13H,3-4,7-8H2
(3)InChIKey: SLJYPZJZQIHNGU-UHFFFAOYAL