3beta-Hydroxy-5-cholestene 3-butyrate

Catalog No: FT-0632282

CAS No: 521-13-1

Molecular Formula: 456.7
Formula Weight: C31H52O2
Inchl Key: CKDZWMVGDHGMFR-GTPODGLVSA-N
Inchl: InChI=1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1

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

Melting_Point:	98-100 °C
CAS:	521-13-1
MF:	C31H52O2
Flash_Point:	264.3±11.8 °C
Product_Name:	cholesteryl butanoate
Density:	1.0±0.1 g/cm3
FW:	456.743
Bolling_Point:	518.0±29.0 °C at 760 mmHg

Refractive_Index:	1.514
Vapor_Pressure:	0.0±1.3 mmHg at 25°C
Flash_Point:	264.3±11.8 °C
LogP:	11.77
Bolling_Point:	518.0±29.0 °C at 760 mmHg
PSA:	26.30000
Molecular_Structure:	['1 . Molar refractive index 13881 ', '2 . Molar volume （m3/mol）4614 ', '3 . Parachor （902K）11417 ', '4 . Surface tension 374 ', '5 . Polarizability 5503']
Computational_Chemistry:	['1 . XlogP 99 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 9 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 33 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 722 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 8 ', '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:	98-100 °C
MF:	C31H52O2
Exact_Mass:	456.396729
FW:	456.743
Density:	1.0±0.1 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/ cm3,25/4℃）Unknow ', '3 . Relative vapor density（g/cm3,Atmosphere =1）Unknow ', '4 . Melting point（ºC）98-100 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,8kPa）Unknow ', '7 . Refractive index-30° ', '8 . Flash point（ºC）Unknow ', '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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']