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6739-22-6

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Basic Information
CAS No.: 6739-22-6
Name: Cyclopropylmethyl phenyl ketone
Article Data: 24
Molecular Structure:
Molecular Structure of 6739-22-6 (Cyclopropylmethyl phenyl ketone)
Formula: C11H12O
Molecular Weight: 160.216
Synonyms: 2-cyclopropyl-1-phenylethanone;
Density: 1.066 g/cm3
Boiling Point: 253.536 °C at 760 mmHg
Flash Point: 101.945 °C
PSA: 17.07000
LogP: 2.66940
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Specification

The Ethanone, 2-cyclopropyl-1-phenyl-, also known as Cyclopropylmethyl phenyl ketone, is an organic compound with the formula C11H12O. With the CAS registry number 6739-22-6, its systematic name is 2-cyclopropyl-1-phenylethanone.

Physical properties of Ethanone, 2-cyclopropyl-1-phenyl-: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 52; (5)ACD/BCF (pH 7.4): 52; (6)ACD/KOC (pH 5.5): 591; (7)ACD/KOC (pH 7.4): 591; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.554; (11)Molar Refractivity: 48.128 cm3; (12)Molar Volume: 150.226 cm3; (13)Surface Tension: 43.129 dyne/cm; (14)Density: 1.066 g/cm3; (15)Flash Point: 101.945 °C; (16)Enthalpy of Vaporization: 49.093 kJ/mol; (17)Boiling Point: 253.536 °C at 760 mmHg; (18)Vapour Pressure: 0.018 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC1CC1)c2ccccc2
(2)InChI: InChI=1/C11H12O/c12-11(8-9-6-7-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2
(3)InChIKey: SKAMSFNTWGMHJW-UHFFFAOYAC