CYCLOHEXYLPHENYLACETIC ACID

The Benzeneacetic acid, α-cyclohexyl- is an organic compound with the formula C₁₄H₁₈O₂. The IUPAC name of this chemical is 2-cyclohexyl-2-phenylacetic acid. With the CAS registry number 3894-09-5, it is also named as Cyclohexyl(phenyl)acetic acid. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzeneacetic acid, α-cyclohexyl- are: (1)ACD/LogP: 3.91; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 0.9; (4)ACD/BCF (pH 5.5): 33.12; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 191.47; (7)ACD/KOC (pH 7.4): 3.12; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 63.03 cm³; (14)Molar Volume: 196.6 cm³; (15)Polarizability: 24.98×10^-24cm³; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.11 g/cm³; (18)Flash Point: 250.2 °C; (19)Enthalpy of Vaporization: 63.12 kJ/mol; (20)Boiling Point: 353.3 °C at 760 mmHg; (21)Vapour Pressure: 1.34E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by phenylacetic acid and (toluene-4-sulfonyloxy)-cyclohexane. This reaction will need reagent lithium diethylamide and solvent tetrahydrofuran. The reaction time is 4 hours with reaction temperature of -78 °C. The yield is about 94%.

Uses of Benzeneacetic acid, α-cyclohexyl-: it can be used to produce cyclohexyl-(4-nitro-phenyl)-acetic acid at temperature of -10 °C. It will need reagent fuming nitric acid.

When you are using this chemical, please be cautious about it as the following:
This chemical 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=C(O)C(c1ccccc1)C2CCCCC2
(2)InChI: InChI=1/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)
(3)InChIKey: AAJLPPDFIRPBDA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)
(5)Std. InChIKey: AAJLPPDFIRPBDA-UHFFFAOYSA-N