Chemical Properties of «alpha»-Tocopheryl acetate (CAS 58-95-7)

«alpha»-Tocopheryl 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/t22-,23-,31-/m0/s1
InChI Key
ZAKOWWREFLAJOT-BVXAZASISA-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
58-95-7
Other Names
  • (+)-«alpha»-Tocopherol acetate
  • (+)-«alpha»-Tocopheryl acetate
  • (2R,4'R,8'R)-«alpha»-Tocopheryl acetate
  • (R,R,R)-«alpha»-Tocopheryl acetate
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R-[2R*(4R*,8R*)]]-
  • 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-
  • Alfacol
  • Combinal E
  • Contopheron
  • Copherol 1250
  • Covitol 1100
  • Covitol 1360
  • D-«alpha»-tocopherol acetate
  • D-«alpha»-tocopheryl acetate
  • E-Ferol
  • E-Toplex
  • E-vicotrat
  • Ecofrol
  • Econ
  • Endo E Dompe
  • Ephynal acetate
  • Epsilan-M
  • Erevit
  • Evipherol
  • Fertilvit
  • Gevex
  • Juvela
  • Spondyvit
  • Tocopherex
  • Tocopheryl acetate
  • Tocophrin
  • Tofaxin
  • Tokoferol acetate
  • Vitamin E acetate
  • Vitamin Ealpha acetate
  • [2R-[2R*(4R,8R*)]]-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol acetate
  • d-Vitamin E acetate
  • «alpha»-Tocopherol acetate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -18535.60 ± 7.50 kJ/mol NIST
Δf -9.80 kJ/mol Joback Calculated Property
Δfgas -814.75 kJ/mol Joback Calculated Property
Δfliquid -1094.80 ± 7.50 kJ/mol NIST
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
Cp,solid 898.00 J/mol×K 293.75 NIST
ΔvapH 60.10 ± 1.30 kJ/mol 495.0 NIST

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»-Tocopherol 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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