Back to Search
Dl-Α-Tocopherol
CAS: 10191-41-0 | C29H50O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10191-41-0
Molecular Formula:
C29H50O2
Molecular Mass:
430.72 g/mol
Names and Synonyms:
Dl-Α-Tocopherol
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-
6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-
3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
dl-α-Tocopherol
(±)-α-Tocopherol
Ephanyl
DL-α-Tocopherol
all-rac-α-Tocopherol
Ronotec DF 120
Ronotec 201
Rac-α-Tocopherol
Ronotec 202
3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
Uvinul 2000AO
Elementol B
Elementol R
Elementol Basic
Irganox E 210
2,5,7,8-Tetramethyl-2-(4′,8′,12′-trimethyltridecyl)chroman-6-ol
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
Irganox LE 307
Identifiers:
SMILES:
Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChI:
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
Key Properties
Boiling Point
205-210 °C @ Press: 0.02 Torr
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 | 430.72 g/mol | CAS Common Chemistry |
| 430.7170000000003 g/mol | RDKit | |
| 430.38108084 g/mol | RDKit | |
| Boiling Point | 205-210 °C @ Press: 0.02 Torr | CAS Common Chemistry |
| Canonical SMILES | OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GVJHHUAWPYXKBD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | DL-α-Tocopherol | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 8.840260000000002 | RDKit |
| Molar Refractivity | 134.3908 | RDKit |
