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ETHYL MANDELATE

Catalog No: FT-0659176

CAS No: 4358-88-7

Chemical Name: ETHYL MANDELATE
Molecular Formula: C10H12O3
Molecular Weight: 180.20
InChI Key: SAXHIDRUJXPDOD-UHFFFAOYSA-N
InChI: InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3

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

Base Information
Chemical Information

Melting_Point:	N/A
CAS:	4358-88-7
MF:	C10H12O3
Flash_Point:	>230 °F
Product_Name:	(+)-Ethyl Mandelate
Density:	1.115 g/mL at 25ºC(lit.)
FW:	180.20000
Bolling_Point:	253-255ºC(lit.)

Refractive_Index:	n20/D 1.512(lit.)
Flash_Point:	>230 °F
LogP:	1.28310
Bolling_Point:	253-255ºC(lit.)
FW:	180.20000
PSA:	46.53000
Computational_Chemistry:	['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 465 ', '6 . Heavy Atom Count 13 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 162 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
MF:	C10H12O3
Exact_Mass:	180.07900
Molecular_Structure:	['1 . Molar refractive index 4838 ', '2 . Molar volume （m3/mol）1570 ', '3 . Parachor （902K）4035 ', '4 . Surface tension 436 ', '5 . Polarizability （10 -24cm 3）1917']
Density:	1.115 g/mL at 25ºC(lit.)
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL ,25℃）1115 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC）253-255 ', '6 . Boiling point（ºC, 15 mmHg）139-141 ', '7 . Refractive index1512 ', '8 . Flash point（℃）>110 ', '9 . Specific rotation（º, C=1, Water ）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']