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Trimethyl (E)-Aconitate

Catalog No: FT-0675599

CAS No: 4271-99-2

Chemical Name: Trimethyl (E)-Aconitate
Molecular Formula: C9H12O6
Molecular Weight: 216.19
InChI Key: DZAIBGWGBBQGPZ-GQCTYLIASA-N
InChI: InChI=1S/C9H12O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h4H,5H2,1-3H3/b6-4+

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:	Trimethyl trans-Aconitate,trans-Aconitic Acid Trimethyl Ester
Flash_Point:	90.1ºC
Melting_Point:	N/A
FW:	216.18800
Density:	1.22
CAS:	4271-99-2
Bolling_Point:	160ºC / 20mmHg
MF:	C9H12O6

Molecular_Structure:	['1 . Molar refractive index 4896 ', '2 . Molar volume （m3/mol）1809 ', '3 . Parachor （902K）4478 ', '4 . Surface tension 375 ', '5 . Polarizability （10 -24cm 3）1941']
Flash_Point:	90.1ºC
Refractive_Index:	1.453
FW:	216.18800
Density:	1.22
Bolling_Point:	160ºC / 20mmHg
Computational_Chemistry:	['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 789 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :273 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '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:	78.90000
MF:	C9H12O6
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL ,20℃）1210-1216 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,）270 ', '6 . Boiling point（ºC, 20 mmHg）160 ', '7 . Refractive index1462-1466 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º, C=neat ）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
Exact_Mass:	216.06300