CAS No.61203-82-5,4-N-BUTYLCYCLOHEXANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61203-82-5
Name:	4-N-BUTYLCYCLOHEXANONE
Article Data:	8

Formula:	C₁₀H₁₈O
Molecular Weight:	154.252
Synonyms:	cyclohexanone, 4-butyl-;4-n-Butylcyclohexanone;
Density:	0.888 g/cm³
Melting Point:	101-102 °C
Boiling Point:	220.1 °C at 760 mmHg
Flash Point:	79.7 °C
PSA:	17.07000
LogP:	2.93590

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Specification

The 4-Butylcyclohexanone with the cas number 61203-82-5, is also called cyclohexanone, 4-butyl-.The molecular formula of this chemical is C₁₀H₁₈O. This chemical can react with morpholine to product 4-(4-butyl-cyclohex-1-enyl)-morpholine in heating condition. The productivity of this reaction is 80%.

The properties of the chemical are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 86.04; (6)ACD/BCF (pH 7.4): 86.04; (7)ACD/KOC (pH 5.5): 844.24; (8)ACD/KOC (pH 7.4): 844.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 46.39 cm³; (15)Molar Volume: 173.5 cm³; (16)Polarizability: 18.39×10^-24cm³; (17)Surface Tension: 29.4 dyne/cm; (18)Enthalpy of Vaporization: 45.65 kJ/mol; (19)Vapour Pressure: 0.115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC(CCCC)CC1
(2)InChI: InChI=1/C10H18O/c1-2-3-4-9-5-7-10(11)8-6-9/h9H,2-8H2,1H3