P-TOLUENESULFONIC ACID 1-BUTYN-3-YL ESTER

Catalog No: FT-0640163

CAS No: 53487-52-8

Chemical Name: P-TOLUENESULFONIC ACID 1-BUTYN-3-YL ESTER
Molecular Formula: C11H12O3S
Molecular Weight: 224.28
InChI Key: XWRDBUBKBUYLQI-UHFFFAOYSA-N
InChI: InChI=1S/C11H12O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h1,5-8,10H,2-3H3

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:	3-Butyn-2-yl 4-methylbenzenesulfonate
Flash_Point:	166.2±20.9 °C
Melting_Point:	52ºC
FW:	224.276
Density:	1.2±0.1 g/cm3
CAS:	53487-52-8
Bolling_Point:	351.1±17.0 °C at 760 mmHg
MF:	C11H12O3S

Flash_Point:	166.2±20.9 °C
Refractive_Index:	1.533
FW:	224.276
Density:	1.2±0.1 g/cm3
Bolling_Point:	351.1±17.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 518 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :336 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	2.03
Melting_Point:	52ºC
PSA:	51.75000
MF:	C11H12O3S
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）52 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，40mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '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']
Vapor_Pressure:	0.0±0.7 mmHg at 25°C
Exact_Mass:	224.050720