Molecular Formula: 418.6
Formula Weight: C25H38O5
Inchl Key: RYMZZMVNJRMUDD-HGQWONQESA-N
Inchl: InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/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:	139 °C
CAS:	79902-63-9
MF:	C25H38O5
Flash_Point:	184.8±23.6 °C
Product_Name:	Simvastatin
Density:	1.1±0.1 g/cm3
FW:	418.566
Bolling_Point:	564.9±50.0 °C at 760 mmHg

Refractive_Index:	1.530
Vapor_Pressure:	0.0±3.5 mmHg at 25°C
Flash_Point:	184.8±23.6 °C
LogP:	4.41
Bolling_Point:	564.9±50.0 °C at 760 mmHg
PSA:	72.83000
Molecular_Structure:	['1 . Molar refractive index 11637 ', '2 . Molar volume 3765 ', '3 . Parachor （902K）9646 ', '4 . Surface tension 430 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 4613']
Computational_Chemistry:	['1 . XlogP 47 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 7 ', '5 . TPSA 728 ', '6 . Heavy Atom Count 30 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 706 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	139 °C
MF:	C25H38O5
Exact_Mass:	418.271912
FW:	418.566
Density:	1.1±0.1 g/cm3
More_Info:	['1 . Appearance White 结晶性粉末。 ', '2 . Density（g/mL,25/4℃）111 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）135-138 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '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 易Soluble in Ethanol 丙酮or 乙腈，较难Soluble in Ethyl ether ，几Insoluble in Water 。']

Hazard_Class:	9
Risk_Statements(EU):	R36/37/38
Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RTECS:	EK7798000
RIDADR:	3077
Hazard_Codes:	Xi: Irritant;
Safety_Statements:	26-36
Packing_Group:	III