Ethanone,1-[4-(trans-4-butylcyclohexyl)phenyl]- supplier

Name
4'-(TRANS-4-N-BUTYLCYCLOHEXYL)ACETOPHENONE
EINECS
CAS No. 83626-30-6
Article Data2
CAS DataBase
Density 0.947 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₆O
Boiling Point 377.88 °C at 760 mmHg
Molecular Weight 258.404
Flash Point 161.023 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanone,1-[4-(4-butylcyclohexyl)phenyl]-, trans-;1-[4-(4-butylcyclohexyl)phenyl]ethanone;1-[4-(trans-4-Butylcyclohexyl)phenyl]ethanone;
PSA 17.07000
LogP 5.35320

Ethanone,1-[4-(trans-4-butylcyclohexyl)phenyl]- Specification

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

Product Name

4'-(TRANS-4-N-BUTYLCYCLOHEXYL)ACETOPHENONE

Ethanone,1-[4-(trans-4-butylcyclohexyl)phenyl]- Specification

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