FT-0606532 CAS:1460-02-2 chemical structure

1,3,5-Tri-tert-butylbenzene

Name: 1,3,5-Tri-tert-butylbenzene
Rating: 4.5 (11 reviews)

Catalog No: FT-0606532

CAS No: 1460-02-2

Molecular Formula: 246.4
Formula Weight: C18H30
Inchl Key: GUFMBISUSZUUCB-UHFFFAOYSA-N
Inchl: InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	248.0±0.0 °C at 760 mmHg
MF:	C18H30
Density:	0.9±0.1 g/cm3
FW:	246.431
Product_Name:	1,3,5-Tri-tert-butylbenzene
CAS:	1460-02-2
Flash_Point:	99.1±7.3 °C
Melting_Point:	67-72 °C(lit.)

Bolling_Point:	248.0±0.0 °C at 760 mmHg
LogP:	7.28
More_Info:	['1 . Appearance White 晶体。 ', '2 . Density（g/mL,25/4℃） 2637 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）735 ', '5 . Boiling point（ºC,Atmospheric pressure）148 ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '8 . Flash point（ºC） 99 ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） 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 416 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility Insoluble in Water 。']
Computational_Chemistry:	['1. XlogP :69 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :206 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	67-72 °C(lit.)
Vapor_Pressure:	0.0±0.2 mmHg at 25°C
Exact_Mass:	246.234756
MF:	C18H30
Density:	0.9±0.1 g/cm3
Refractive_Index:	1.474
Flash_Point:	99.1±7.3 °C
Molecular_Structure:	['1 . Molar refractive index 8141 ', '2 . Molar volume 2894 ', '3 . Parachor （902K）6513 ', '4 . Surface tension 256 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 3227']
FW:	246.431