CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Slightly viscous, pale yellow oil |
| Boiling Point | Decomposes |
| Melting Point | 2.5-3.5 °C |
| Solubility | Insoluble |
| Density | 0.950 at 25 °C/4 °C |
| Stability/Shelf Life | Exposure to light. Stable under recommended storage conditions. |
| Optical Rotation | [α]D/25 0° ± 0,05° (1 in 10 solution in chloroform) |
| Refractive Index | [n]D/20 1,503-1,507 |
| Collision Cross Section | 219.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 3149.5 3149.4 3138 3142 3112 3130 |
| Chemical Classes | Biological Agents -> Vitamins and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 430.7 g/mol |
|---|---|
| XLogP3 | 10.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| Exact Mass | 430.381080833 g/mol |
| Monoisotopic Mass | 430.381080833 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 503 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol is a tocopherol.