Chemical Properties of Vitamin E (CAS 59-02-9)

Vitamin E

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InChI
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
InChI Key
GVJHHUAWPYXKBD-UHFFFAOYSA-N
Formula
C29H50O2
SMILES
Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
Molecular Weight1
430.71
CAS
59-02-9
Other Names
  • (+)-«alpha»-Tocopherol
  • (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
  • (2R,4'R,8'R)-«alpha»-Tocopherol
  • (All-R)-«alpha»-Tocopherol
  • (R,R,R)-«alpha»-Tocopherol
  • 121854-78-2
  • 18920-62-2
  • 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
  • 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, [2R-[2R*(4R*,8R*)]]-
  • 364-49-8
  • 5,7,8-Trimethyltocol
  • Almefrol
  • Antisterility vitamin
  • Aquasol E
  • Covi-ox
  • Covitol F 1000
  • Covitol F 1300
  • D-«alpha»-tocopherol
  • Denamone
  • E-Oil 1000
  • E-toplex
  • E-vimin
  • Emipherol
  • Endo E
  • Eprolin
  • Eprolin S
  • Epsilan
  • Epsilan-m
  • Esorb
  • Etamican
  • Etavit
  • Evion
  • Evipherol
  • Evitaminum
  • Ilitia
  • Lan-E
  • Med-E
  • Phytogermine
  • Profecundin
  • Rhenogran Ronotec 50
  • Spavit
  • Spavit E
  • Syntopherol
  • Tenox GT 1
  • Tocopherex
  • Tocopherol
  • Tokopharm
  • Vascuals
  • Verrol
  • Vi-E
  • Viprimol
  • Vita E
  • Vitaplex E
  • Vitayonon
  • Viteolin
  • [2R-2R*(4R*,8R*)]-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
  • «alpha»-D-Tocopherol
  • «alpha»-Tocopherol
  • «alpha»-Tokoferol
  • «alpha»-Vitamin E
Sources

Physical Properties

Property Value Unit Source
Δf 62.29 kJ/mol Joback Calculated Property
Δfgas -694.51 kJ/mol Joback Calculated Property
Δfus 56.28 kJ/mol Joback Calculated Property
Δvap 100.37 kJ/mol Joback Calculated Property
logPoct/wat 8.84 Crippen Calculated Property
Pc 882.09 kPa Joback Calculated Property
Tboil 1027.02 K Joback Calculated Property
Tc 1257.43 K Joback Calculated Property
Tfus 624.70 K Joback Calculated Property
Vc 1.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1437.29 J/mol×K 1027.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (ring) 1
=C< (ring) 6
-CH2- 9
>C< (ring) 1
-CH3 8
-OH (phenol) 1
-CH2- (ring) 2

Similar Compounds

d,«alpha»-Tocopherol. dl-«alpha»-Tocopherol. Tocol, 5,8-dimethyl. «beta»-Tocopherol. (R)-6-Methoxy-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman. «beta»-Tocopherol, O-methyl-. Tocol, 5,7-dimethyl. Tocol, 7,8-dimethyl. «gamma»-Tocopherol. (+)-«gamma»-Tocopherol, O-methyl-. 6-Methoxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman. «alpha»-Tocopheryl acetate. (.+/-.)-«alpha»-Tocopherol acetate. Tocol, 5-methyl. «beta»-Tocopherol, O-acetyl-.

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