FT-0603551 CAS:1180-71-8 chemical structure

Limonin

Name: Limonin
Rating: 4.5 (11 reviews)

Catalog No: FT-0603551

CAS No: 1180-71-8

Molecular Formula: 470.5
Formula Weight: C26H30O8
Inchl Key: KBDSLGBFQAGHBE-MSGMIQHVSA-N
Inchl: InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/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

Product_Name:	Limonin
Flash_Point:	358.0±31.5 °C
Melting_Point:	298ºC
FW:	470.512
Density:	1.4±0.1 g/cm3
CAS:	1180-71-8
Bolling_Point:	668.4±55.0 °C at 760 mmHg
MF:	C26H30O8

Molecular_Structure:	['1. Molar refractive index 1161 ', '2. Molar volume 3382 ', '3. Parachor （902K）9315 ', '4. Surface tension 575 ', '5. Dielectric constant N/A ', '6. Polarizability 4602 ', '7. Single isotope mass 470194068 Da ', '8. Nominal mass 470 Da ', '9. Average mass 4705116 Da']
Flash_Point:	358.0±31.5 °C
Refractive_Index:	1.602
FW:	470.512
Density:	1.4±0.1 g/cm3
Bolling_Point:	668.4±55.0 °C at 760 mmHg
Computational_Chemistry:	['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 8 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 105 ', '7 . Heavy Atom Count 34 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1010 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 9 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
LogP:	1.66
Melting_Point:	298ºC
PSA:	104.57000
MF:	C26H30O8
More_Info:	['1 . Appearance Colourless 结晶(由二氯甲烷-异丙醇or 醋酸中结晶)。 2 . Density（ g/cm', '3,25 ℃ ） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）298 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,05mmHg）Unknow ', '7 . Refractive index(°)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º,C=121, 丙酮）-128 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）10E-17 ', '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 Soluble in Ethanol and 冰醋酸,微Soluble in Water and Ethyl ether 。']
Vapor_Pressure:	0.0±2.0 mmHg at 25°C
Exact_Mass:	470.194061