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(S)-(+)-1-METHYLPROPYL 4-METHYLBENZENESULFONATE

Catalog No: FT-0659235

CAS No: 50896-54-3

Chemical Name: (S)-(+)-1-METHYLPROPYL 4-METHYLBENZENESULFONATE
Molecular Formula: C11H16O3S
Molecular Weight: 228.31
InChI Key: AYHWQTQILBGWRN-JTQLQIEISA-N
InChI: InChI=1S/C11H16O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3/t10-/m0/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	[(2S)-butan-2-yl] 4-methylbenzenesulfonate
Flash_Point:	152.8ºC
Melting_Point:	N/A
FW:	228.30800
Density:	1.12g/cm3
CAS:	50896-54-3
Bolling_Point:	329.1ºC at 760mmHg
MF:	C11H16O3S

LogP:	3.57960
Flash_Point:	152.8ºC
Refractive_Index:	n20/D 1.504(lit.)
FW:	228.30800
Density:	1.12g/cm3
Bolling_Point:	329.1ºC at 760mmHg
Computational_Chemistry:	['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 518 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :271 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
PSA:	51.75000
MF:	C11H16O3S
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20ºC）1123 ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）139-141°C(lit) ', '6 . Boiling point（ºC，015mm hg）Unknow ', '7 . Refractive indexn 20/D 1504(lit) ', '8 . Flash point（°C）>230°F ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Exact_Mass:	228.08200