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Name |
Cyclohexaneethanol,1-(4-methylbenzenesulfonate) |
EINECS | N/A |
CAS No. | 21336-37-8 | Density | 1.117 g/cm3 |
PSA | 51.75000 | LogP | 4.75150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H22O3S | Boiling Point | 408.947 °C at 760 mmHg |
Molecular Weight | 282.404 | Flash Point | 201.124 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cyclohexaneethanol,4-methylbenzenesulfonate (9CI);Cyclohexaneethanol, p-toluenesulfonate (8CI);2-Cyclohexylethyl tosylate; |
Article Data | 5 |
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