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Benzeneacetic acid,cyclohexyl ester

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Name

Benzeneacetic acid,cyclohexyl ester

EINECS 255-751-9
CAS No. 42288-75-5 Density 1.05 g/cm3
Solubility Melting Point
Formula C14H18O2 Boiling Point 313.3 °C at 760 mmHg
Molecular Weight 218.2915 Flash Point 136.1 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 42288-75-5 (Benzeneacetic acid,cyclohexyl ester) Hazard Symbols
Synonyms

Aceticacid, phenyl-, cyclohexyl ester (6CI);Cyclohexyl phenylacetate;NSC 406961;NSC 67365;phenyl-acetic acid cyclohexyl ester;

 

Benzeneacetic acid,cyclohexyl ester Specification

The Benzeneacetic acid,cyclohexyl ester, with the CAS registry number 42288-75-5 and EINECS registry number 255-751-9, has the systematic name of cyclohexyl phenylacetate. It is also called phenyl-acetic acid cyclohexyl ester. And the molecular formula of this chemical is C14H18O2.

The physical properties of Benzeneacetic acid,cyclohexyl ester are as following: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.03; (5)ACD/BCF (pH 5.5): 675.17; (6)ACD/BCF (pH 7.4): 675.17; (7)ACD/KOC (pH 5.5): 3688.88; (8)ACD/KOC (pH 7.4): 3688.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 63.58 cm3; (15)Molar Volume: 206.6 cm3; (16)Polarizability: 25.2×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 136.1 °C; (20)Enthalpy of Vaporization: 55.44 kJ/mol; (21)Boiling Point: 313.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0005 mmHg at 25°C.

Preparation of Benzeneacetic acid,cyclohexyl ester: This chemical can be prepared by bromocyclohexane and phenylacetic acid. The reaction will need reagents mercury(II) oxide and aq. hydrofluoric acid, and the solvent CH2Cl2. The reaction time is 3 hours with the temperature of 20 °C, and the yield is about 34%. 

Benzeneacetic acid,cyclohexyl ester can be prepared by bromocyclohexane and phenylacetic acid

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CCCCC1)Cc2ccccc2
(2)InChI: InChI=1/C14H18O2/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
(3)InChIKey: MNEAZOGMEQUJER-UHFFFAOYAN

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