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Methyl DL-mandelate

Catalog No: FT-0652548

CAS No: 4358-87-6

Chemical Name: Methyl DL-mandelate
Molecular Formula: C9H10O3
Molecular Weight: 166.17
InChI Key: ITATYELQCJRCCK-UHFFFAOYSA-N
InChI: InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,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

Melting_Point:	54-58ºC
CAS:	4358-87-6
MF:	C9H10O3
Flash_Point:	113.1±14.5 °C
Product_Name:	(±)-methyl mandelate
Density:	1.2±0.1 g/cm3
FW:	166.174
Bolling_Point:	258.1±0.0 °C at 760 mmHg

Refractive_Index:	1.535
Vapor_Pressure:	0.0±0.5 mmHg at 25°C
Flash_Point:	113.1±14.5 °C
LogP:	0.90
Bolling_Point:	258.1±0.0 °C at 760 mmHg
PSA:	46.53000
Molecular_Structure:	['1 . Molar refractive index 4374 ', '2 . Molar volume （m3/mol）1404 ', '3 . Parachor （902K）3637 ', '4 . Surface tension 449 ', '5 . Polarizability （10 -24cm 3）1734']
Computational_Chemistry:	['1 . XlogP 12 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 465 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 150 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 1 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
Melting_Point:	54-58ºC
MF:	C9H10O3
Exact_Mass:	166.062988
FW:	166.174
Density:	1.2±0.1 g/cm3
More_Info:	['1 . Appearance White to 微Yellow 结晶 ', '2 . Density（g/mL ,25℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）54-58 ', '5 . Boiling point（ºC）250 ', '6 . Boiling point（ºC, 12 mmHg） 135 ', '7 . Refractive index不确定 ', '8 . Flash point（℃）>110 ', '9 . Specific rotation（º, C=1, Water ）不确定 ', '10 燃点（ºC）>110 ', '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 Soluble in 甲醇']

RIDADR:	NONH for all modes of transport
Safety_Statements:	S24/25
HS_Code:	29181980
Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter