α-Tocopheryl acetate
- Formula: C31H52O3
- Molecular weight: 472.7428
- IUPAC Standard 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
- IUPAC Standard InChIKey: ZAKOWWREFLAJOT-BVXAZASISA-N
- CAS Registry Number: 58-95-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R-[2R*(4R*,8R*)]]-; Vitamin E acetate; 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-; α-Tocopherol acetate; (+)-α-Tocopherol acetate; (+)-α-Tocopheryl acetate; D-α-tocopherol acetate; D-α-tocopheryl acetate; Alfacol; Combinal E; Contopheron; E-Ferol; E-Toplex; Ecofrol; Econ; Endo E Dompe; Ephynal acetate; Epsilan-M; Erevit; Evipherol; Fertilvit; Gevex; Juvela; Tocopherex; Tocophrin; Tofaxin; Tokoferol 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; E-vicotrat; Spondyvit; (2R,4'R,8'R)-α-Tocopheryl acetate; (R,R,R)-α-Tocopheryl acetate; Copherol 1250; Covitol 1100; Covitol 1360; Tocopheryl acetate; Vitamin Ealpha acetate
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Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -1094.8 ± 7.5 | kJ/mol | Ccb | Gerasimov, Gubareva, et al., 1985 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -18535.6 ± 7.5 | kJ/mol | Ccb | Gerasimov, Gubareva, et al., 1985 | Corresponding ΔfHºliquid = -1094.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 898. | 293.75 | Baglay, Gurariy, et al., 1988 | T = 273 to 334 K. Unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 60.1 ± 1.3 | 496. | Baglay, Gurariy, et al., 1988 | Based on data from 466. to 524. K. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gerasimov, Gubareva, et al., 1985
Gerasimov, P.A.; Gubareva, A.I.; Blokh, E.L.; Cherkasova, T.G.,
Physicochemical properties of α-tocopherol acetate,
Khim.-Farm. Zh., 1985, 19, 1274-1276. [all data]
Baglay, Gurariy, et al., 1988
Baglay, A.K.; Gurariy, L.L.; Kuleshov, G.G.,
Physical properties of compounds used in vitamin synthesis,
J. Chem. Eng. Data, 1988, 33, 512-518. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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