Chemical Name: CHOLIC ACID METHYL ESTER
Molecular Formula: C25H42O5
Molecular Weight: 422.6
InChI Key: DLYVTEULDNMQAR-SRNOMOOLSA-N
InChI: InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/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

Melting_Point:	155-156°C
CAS:	1448-36-8
MF:	C25H42O5
Flash_Point:	174.9ºC
Product_Name:	Methyl cholate
Density:	1.141g/cm3
FW:	422.59800
Bolling_Point:	541.6ºC at 760mmHg

Refractive_Index:	1.539
Vapor_Pressure:	5.49E-14mmHg at 25°C
Flash_Point:	174.9ºC
LogP:	3.53710
Bolling_Point:	541.6ºC at 760mmHg
PSA:	86.99000
Molecular_Structure:	['1 . Molar refractive index 11608 ', '2 . Molar volume （m3/mol）3702 ', '3 . Parachor （902K）9643 ', '4 . Surface tension 460 ', '5 . Polarizability （10 -24cm 3）4601']
Computational_Chemistry:	['1 . XlogP 39 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 5 ', '5 . TPSA 87 ', '6 . Heavy Atom Count 30 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 652 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 11 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	155-156°C
MF:	C25H42O5
Exact_Mass:	422.30300
FW:	422.59800
Density:	1.141g/cm3
More_Info:	['1 . Appearance White Solid 。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）155-156 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '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 Insoluble in Water 。']