Description
Product Parameters of Vitamin E CAS#59-02-9
1. Names and Identifiers
| Name | Vitamin E
|
| Synonyms
|
(+)-ALPHA-TOCOPHEROL
(+)-a-Tocopherol (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro- 2H-chromen-6-ol (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12- TRIMETHYLTRIDECYL]CHROMAN-6-OL (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12- trimethyltridecyl]-2H-1-benzopyran-6-ol (2R,4’R,8’R)-a-Tocopherol (all-R)-a-Tocopherol (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro- 2H-chromen-6-ol [2R-2R*(4R*,8R*)]-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12- trimethyltridecyl)-2H-1-benzopyran-6-ol
|
| CAS
|
59-02-9
|
| CID | 14985
|
| EINECS(EC#) | 218-197-9
|
| Molecular Formula | C29H50O2 (isomer)
|
| 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/t21-,22-,29-/m1/s1
|
| InChIkey
|
GVJHHUAWPYXKBD-IEOSBIPESA-N
|
| Canonical Smiles
|
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
|
| Isomers Smiles
|
CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C)C |
2. Properties
| Density
|
0.93
|
| Melting point
|
2.5-3.5℃ |
| Boiling point | 200-220℃ (0.07501 mmHg)
|
| Refractive index | n20/D 1.505(lit.)
|
| Flash Point
|
253 °C
|
| Vapour Pressure | 0.0±1.2 mmHg at 25°C
|
| Precise Quality
|
430.381073
|
| PSA
|
29.46000
|
| logP
|
8.84020
|
| Appearance
|
light yellow liquid
|
| Chemical Properties
|
light yellow liquid
|
| Color/Form
|
Oil
|
| Odo | Little or no odo |
| pKa
|
11.40±0.40(Predicted)
|
| Water Solubility
|
Practically insoluble in water, freely soluble in acetone, in anhydrous ethanol, in methylene chloride and in fatty oils.
|
| Spectral Properties | MAX ABSORPTION (METHANOL): 292 NM (LOG E= 3.54); DECOMP @ 350 DEG C; SADTLER REF NUMBER: 10277 (IR, PRISM) IR: 18246 (Sadtler Research Laboratories IR Grating Collection) UV: 20771 (Sadtler Research Laboratories Spectral Collection) NMR: 366 (Varian Associates NMR Spectra Catalogue) MASS: 33141 (NIST/EPA/MSDC Mass Spectral database, 1990 version) Specific optical rotation: +0.65 at 25 deg C/D (alc)
|
| Stability | Stable. Combustible. May be sensitive to light and air. Incompatible with strong oxidizing agents.
|
| StorageTemp | -20°C |
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