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Name |
Ethanone,1-[4-(trans-4-butylcyclohexyl)phenyl]- |
EINECS | N/A |
CAS No. | 83626-30-6 | Density | 0.947 g/cm3 |
PSA | 17.07000 | LogP | 5.35320 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H26O | Boiling Point | 377.88 °C at 760 mmHg |
Molecular Weight | 258.404 | Flash Point | 161.023 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethanone,1-[4-(4-butylcyclohexyl)phenyl]-, trans-;1-[4-(4-butylcyclohexyl)phenyl]ethanone;1-[4-(trans-4-Butylcyclohexyl)phenyl]ethanone; |
Article Data | 2 |
The Ethanone,1-[4-(trans-4-butylcyclohexyl)phenyl]-, with the CAS registry number 83626-30-6, has the systematic name of 1-[4-(4-butylcyclohexyl)phenyl]ethanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C18H26O.
The characteristics of Ethanone,1-[4-(trans-4-butylcyclohexyl)phenyl]- are as followings: (1)ACD/LogP: 6.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.284; (4)ACD/LogD (pH 7.4): 6.284; (5)ACD/BCF (pH 5.5): 35114.266; (6)ACD/BCF (pH 7.4): 35114.266; (7)ACD/KOC (pH 5.5): 62408.09; (8)ACD/KOC (pH 7.4): 62408.09; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 80.735 cm3; (15)Molar Volume: 272.754 cm3; (16)Polarizability: 32.006×10-24cm3; (17)Surface Tension: 34.806 dyne/cm; (18)Density: 0.947 g/cm3; (19)Flash Point: 161.023 °C; (20)Enthalpy of Vaporization: 62.57 kJ/mol; (21)Boiling Point: 377.88 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)C(=O)C
(2)InChI: InChI=1/C18H26O/c1-3-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19/h10-13,15,17H,3-9H2,1-2H3/t15-,17-
(3)InChIKey: JSSOGWPPKQYPSP-JCNLHEQBBU