Chemical Properties of (.+/-.)-«alpha»-Tocopherol acetate (CAS 7695-91-2)

(.+/-.)-«alpha»-Tocopherol acetate

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InChI
InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
InChI Key
ZAKOWWREFLAJOT-UHFFFAOYSA-N
Formula
C31H52O3
SMILES
CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
Molecular Weight1
472.74
CAS
7695-91-2
Other Names
  • (+)-.alpha.-Tocopherol, O-acetyl-
  • (+)-«alpha»-Tocopherol acetate
  • 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate
  • 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate
  • Vitamin E acetate
  • dl-«alpha»-Tocopheryl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -9.80 kJ/mol Joback Calculated Property
Δfgas -814.75 kJ/mol Joback Calculated Property
Δfus 58.08 kJ/mol Joback Calculated Property
Δvap 101.62 kJ/mol Joback Calculated Property
logPoct/wat 9.06 Crippen Calculated Property
Pc 739.63 kPa Joback Calculated Property
Tboil 1073.43 K Joback Calculated Property
Tc 1316.54 K Joback Calculated Property
Tfus 620.20 K Joback Calculated Property
Vc 1.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1554.28 J/mol×K 1073.43 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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