[2R(4R,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl nicotinate

Catalog No: FT-0625432

CAS No: 51898-34-1

Chemical Name: [2R*(4R*,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl nicotinate
Molecular Formula: C35H53NO3
Molecular Weight: 535.8 g/mol
InChI Key: MSCCTZZBYHQMQJ-AZAGJHQNSA-N
InChI: InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1

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:	N/A
CAS:	51898-34-1
MF:	C35H53NO3
Flash_Point:	346.3±31.5 °C
Product_Name:	(±)-α-Tocopherol nicotinate
Density:	1.0±0.1 g/cm3
FW:	535.800
Bolling_Point:	649.0±55.0 °C at 760 mmHg

Refractive_Index:	1.514
Vapor_Pressure:	0.0±1.9 mmHg at 25°C
Flash_Point:	346.3±31.5 °C
LogP:	13.23
Bolling_Point:	649.0±55.0 °C at 760 mmHg
FW:	535.800
PSA:	48.42000
Computational_Chemistry:	['1 . XlogP 114 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 15 ', '6 . TPSA 484 ', '7 . Heavy Atom Count 39 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 725 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 3 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
MF:	C35H53NO3
Exact_Mass:	535.402527
Density:	1.0±0.1 g/cm3
More_Info:	['1 . Appearance White or 微Yellow 蜡状结晶。 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）39-48 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，10mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,20ºC）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 极易Soluble in 丙酮 Ethyl ether 氯仿and 苯，易Soluble in Ethanol ，在Water 中几乎不溶。']