Chemical Name: Paeoniflorin
Molecular Formula: C23H28O11
Molecular Weight: 480.5
InChI Key: YKRGDOXKVOZESV-WRJNSLSBSA-N
InChI: InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/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

Product_Name:	Paeoniflorin
Flash_Point:	238.4±25.0 °C
Melting_Point:	N/A
FW:	480.462
Density:	1.6±0.1 g/cm3
CAS:	23180-57-6
Bolling_Point:	690.2±55.0 °C at 760 mmHg
MF:	C23H28O11

Molecular_Structure:	['1 . Molar refractive index 11164 ', '2 . Molar volume （m3/mol）2934 ', '3 . Parachor (902K)9001 ', '4 表面张力(dyne/cm)885 ', '5 . Polarizability (10-24cm3)4425']
LogP:	-0.42
Flash_Point:	238.4±25.0 °C
Refractive_Index:	1.683
FW:	480.462
Density:	1.6±0.1 g/cm3
Bolling_Point:	690.2±55.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :-1 ', '2. Hydrogen Bond Donor Count 5 ', '3. Hydrogen Bond Acceptor Count 11 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count ', '6. TPSA :164 ', '7. Heavy Atom Count 34 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 849 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 11 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
PSA:	164.37000
MF:	C23H28O11
More_Info:	['1. Appearance White 吸湿性无定形粉末 ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '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 Unknow']
Vapor_Pressure:	0.0±2.3 mmHg at 25°C
Exact_Mass:	480.163147

Hazard_Codes:	Xn,N,T,F
RTECS:	XZ3015000
Risk_Statements(EU):	R22:Harmful if swallowed. R50:Very Toxic to aquatic organisms. R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed . R23/24/25:Toxic by inhalation, in contact with skin and if swallowed
RIDADR:	UN 3077 9/PG 3
HS_Code:	2932999099
WGK_Germany:	2
Safety_Statements:	S61-S45-S36/37