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Α-Tocopheryl Acetate
CAS: 58-95-7 | C31H52O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
58-95-7
Molecular Formula:
C31H52O3
Molecular Mass:
472.75 g/mol
Names and Synonyms:
Α-Tocopheryl Acetate
E-Toplex
Evipherol
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-
6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R-[2R*(4R*,8R*)]]-
α-Tocopherol acetate
Vitamin E acetate
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)-
(+)-α-Tocopherol acetate
d-α-Tocopheryl acetate
(+)-α-Tocopheryl acetate
α-Tocopheryl acetate
d-α-Tocopherol acetate
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol acetate
Tocophrin
Fertilvit
Endo E Dompe
Gevex
Alfacol
Epsilan-M
Econ
E-Ferol
Tocopherex
Tofaxin
Ephynal acetate
Contopheron
Ecofrol
Tokoferol acetate
Combinal E
Erevit
(2R,4′R,8′R)-α-Tocopheryl acetate
(R,R,R)-α-Tocopheryl acetate
Vitamin Eα acetate
(2R,4′R,8′R)-α-Tocopherol acetate
D-α-Tocopherol acetate
Covitol 1360
Tocopheryl acetate
Copherol 1250
Tocopherol acetate
Copherol 12250
D-α-Tocopheryl acetate
Covitol 1100
d-Vitamin E acetate
E-Vicotrat
Spondyvit
Tinoderm E
Nanotopes
Lutavit E 50
Covitol
E 230 Clear
Vitamin E 230 Clear
NatAc
Natur-E granulate
Covitol 700WD
Covitol 700
Copherol F 1250C
T-3376
Evicup
Vitapherol
Riken E Acetate α
D-Alpha-tocopheryl acetate
Onynex potassium
Onynex K
VEA Olio
Identifiers:
SMILES:
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
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-/m1/s1
Key Properties
Boiling Point
224 °C @ Press: 0.3 Torr
CAS Common Chemistry
Melting Point
-27.5 °C
CAS Common Chemistry
Density
0.95 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 472.75 g/mol | CAS Common Chemistry |
| 472.7540000000004 g/mol | RDKit | |
| 472.39164552399996 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9533 g/cm3 @ Temp: 21.34 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/%CE%91-Tocopheryl_acetate | CAS Common Chemistry |
| Boiling Point | 224 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C | CAS Common Chemistry |
| 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-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZAKOWWREFLAJOT-CEFNRUSXSA-N | CAS Common Chemistry |
| Melting Point | -27.5 °C | CAS Common Chemistry |
| Name | Tocopheryl acetate | CAS Common Chemistry |
| α-Tocopheryl acetate | CAS Common Chemistry | |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 9.059960000000002 | RDKit |
| Molar Refractivity | 144.03499999999988 | RDKit |
Related Molecules
Other compounds with formula C31H52O3
