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ETHYL 3,5-DIMETHYLBENZOATE

Catalog No: FT-0626011

CAS No: 21239-29-2

Chemical Name: ETHYL 3,5-DIMETHYLBENZOATE
Molecular Formula: C11H14O2
Molecular Weight: 178.23
InChI Key: IHAAVLXHNOZMBC-UHFFFAOYSA-N
InChI: InChI=1S/C11H14O2/c1-4-13-11(12)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3

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

FW:	178.22800
Bolling_Point:	120ºC 10mm
MF:	C11H14O2
Flash_Point:	92ºC
Product_Name:	ethyl 3,5-dimethylbenzoate
Density:	1.113
CAS:	21239-29-2
Melting_Point:	N/A

Computational_Chemistry:	['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :167 ', '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']
Flash_Point:	92ºC
More_Info:	['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）1113 ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）120 ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive index15090 ', '8. Flash point（ºC）92 ', '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']
PSA:	26.30000
Vapor_Pressure:	0.0119mmHg at 25°C
Density:	1.113
Refractive_Index:	1.509
FW:	178.22800
LogP:	2.48010
Bolling_Point:	120ºC 10mm
MF:	C11H14O2
Exact_Mass:	178.09900
Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 5230 ', '2 . Molar volume (m3/mol)1763 ', '3 . Parachor (902K)4271 ', '4 表面张力(dyne/cm)344 ', '5 . Polarizability (10-24cm3)2073']