≥98 atom% D,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
α-Tocopherol (phenyl-5,7-dimethyl-d6) is also known as vitamin E (ring-5,7-dimethyl-d6) that can be used as an internal standard. It is utilized to determine α-tocopherol (α-T) concentration in different biopharmaceutical samples using liquid chromatography-diode array detector on-line ESI-MS/MS.
| Canonical Smiles | CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
|---|---|
| IUPAC Name | (2R)-2,8-dimethyl-5,7-bis(trideuteriomethyl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol |
| InChIKey | GVJHHUAWPYXKBD-BCHQTGRQSA-N |
| 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/i5D3,7D3 |
| Isomeric SMILES | [2H]C([2H])([2H])C1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C([2H])([2H])[2H])C |
| Molecular Weight | 436.74 |
| Reaxy-Rn | 1296133 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1296133&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Quinone and hydroquinone lipids |
| Intermediate Tree Nodes | Vitamin E compounds |
| Direct Parent | Tocopherols |
| Alternative Parents | Diterpenoids 1-benzopyrans Alkyl aryl ethers Benzenoids Oxacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tocopherol - Diterpenoid - 1-benzopyran - Benzopyran - Chromane - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain. |
| External Descriptors | Not available |
| Flash Point(°F) | 230.0 °F |
|---|---|
| Flash Point(°C) | 110 °C |
| Boil Point(°C) | 200-220℃/1mmHg (lit.) |
| Molecular Weight | 436.700 g/mol |
| XLogP3 | 10.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| Exact Mass | 436.419 Da |
| Monoisotopic Mass | 436.419 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 503.000 |
| Isotope Atom Count | 6 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
