CAS No.4534-74-1,4-Ethylcyclohexanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4534-74-1
Name:	4-Ethylcyclohexanol
Article Data:	27

Formula:	C₈H₁₆O
Molecular Weight:	128.214
Synonyms:	NSC 21118;
EINECS:	224-878-1
Density:	0.909 g/cm³
Melting Point:	19.68°C (estimate)
Boiling Point:	185.7 °C at 760 mmHg
Flash Point:	77 °C
Appearance:	clear slightly yellow liquid
Safety:	24/25
PSA:	20.23000
LogP:	1.94750

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Specification

The 4-Ethylcyclohexanol with CAS registry number of 4534-74-1, belongs to the following product categories: (1)Alcohols; (2)C7 to C8; (3)Oxygen Compounds. It has the systematic name of 4-ethylcyclohexanol. And its IUPAC name is 4-ethylcyclohexan-1-ol. When use it, avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.88; (6)ACD/BCF (pH 7.4): 36.88; (7)ACD/KOC (pH 5.5): 460.37; (8)ACD/KOC (pH 7.4): 460.37; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 38.58 cm³; (15)Molar Volume: 141 cm³; (16)Polarizability: 15.29×10^-24cm³; (17)Surface Tension: 30.3 dyne/cm; (18)Enthalpy of Vaporization: 49.1 kJ/mol; (19)Vapour Pressure: 0.194 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCC(CC)CC1;
(2)InChI: InChI=1/C8H16O/c1-2-7-3-5-8(9)6-4-7/h7-9H,2-6H2,1H3;
(3)InChIKey: RVTKUJWGFBADIN-UHFFFAOYAN;
(4)Std. InChI: InChI=1S/C8H16O/c1-2-7-3-5-8(9)6-4-7/h7-9H,2-6H2,1H3;
(5)Std. InChIKey: RVTKUJWGFBADIN-UHFFFAOYSA-N