CAS No.21336-37-8,2-CYCLOHEXYL-ETHYL TOLUENE-4-SULFONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21336-37-8
Name:	2-CYCLOHEXYL-ETHYL TOLUENE-4-SULFONATE
Article Data:	5

Formula:	C₁₅H₂₂O₃S
Molecular Weight:	282.404
Synonyms:	Cyclohexaneethanol,4-methylbenzenesulfonate (9CI);Cyclohexaneethanol, p-toluenesulfonate (8CI);2-Cyclohexylethyl tosylate;
Density:	1.117 g/cm³
Boiling Point:	408.947 °C at 760 mmHg
Flash Point:	201.124 °C
PSA:	51.75000
LogP:	4.75150

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Specification

The Cyclohexaneethanol,1-(4-methylbenzenesulfonate), with the CAS registry number 21336-37-8, is also known as Cyclohexaneethanol,4-methylbenzenesulfonate (9CI) and 2-Cyclohexylethyl tosylate. This chemical's molecular formula is C₁₅H₂₂O₃S and molecular weight is 282.3984. What's more, both its IUPAC name and systematic name are the same which is called 2-Cyclohexylethyl 4-methylbenzenesulfonate.

Physical properties about Cyclohexaneethanol,1-(4-methylbenzenesulfonate) are: (1) ACD/LogP: 4.29; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4; (4) ACD/LogD (pH 7.4): 4; (5) ACD/BCF (pH 5.5): 1348; (6) ACD/BCF (pH 7.4): 1348; (7) ACD/KOC (pH 5.5): 6052; (8) ACD/KOC (pH 7.4): 6052; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 51.75 Å²; (13) Index of Refraction: 1.52; (14) Molar Refractivity: 76.916 cm³; (15) Molar Volume: 252.832 cm³; (16) Polarizability: 30.492×10^-24 cm³; (17) Surface Tension: 38.782 dyne/cm; (18) Density: 1.117 g/cm³; (19) Flash Point: 201.124 °C; (20) Enthalpy of Vaporization: 63.535 kJ/mol; (21) Boiling Point: 408.947 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(OCCC1CCCCC1)c2ccc(cc2)C
(2) InChI: InChI=1/C15H22O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3
(3) InChIKey: UKXWRHNPGQFSDD-UHFFFAOYAN