Chemical Properties of «gamma»-Tocopherol (CAS 7616-22-0)

«gamma»-Tocopherol

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InChI
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3
InChI Key
QUEDXNHFTDJVIY-UHFFFAOYSA-N
Formula
C28H48O2
SMILES
Cc1c(O)cc2c(c1C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2
Molecular Weight1
416.68
CAS
7616-22-0
Other Names
  • (+)-.gamma.-Tocopherol
  • 2,7,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
  • 3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
  • 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
  • 6-Chromanol, 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
  • 7,8-Dimethyltocol
  • 7,8-Dimethyltocolo-xylotocopherol
  • o-Xylotocopherol
  • «gamma»-Tokoferol
Sources

Physical Properties

Property Value Unit Source
Δf 63.50 kJ/mol Joback Calculated Property
Δfgas -662.40 kJ/mol Joback Calculated Property
Δfus 54.08 kJ/mol Joback Calculated Property
Δvap 97.48 kJ/mol Joback Calculated Property
logPoct/wat 8.53 Crippen Calculated Property
Pc 943.26 kPa Joback Calculated Property
Tboil 999.16 K Joback Calculated Property
Tc 1224.33 K Joback Calculated Property
Tfus 600.91 K Joback Calculated Property
Vc 1.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1368.02 J/mol×K 999.16 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (ring) 1
=CH- (ring) 1
=C< (ring) 5
-CH2- 9
>C< (ring) 1
-CH3 7
-OH (phenol) 1
-CH2- (ring) 2

Similar Compounds

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

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