Tocopherol (CAS 1406-66-2) in Food & Feed Raw Materials: Properties and Specification Checks
Tocopherol (CAS 1406-66-2; InChIKey QUEDXNHFTDJVIY-UHFFFAOYSA-N) is a chemical raw material used in Food & Feed Raw Materials, with formula C28H48O2 and molecular weight 416.7 g/mol. This page lists database-verifiable properties, what those values imply for formulation and QC, and a specification checklist for Food & Feed Raw Materials applications.
Key takeaways
- XLogP = 10.3 indicates lipophilic behaviour: poor aqueous dispersion requires a matched solvent, emulsifier or carrier, and direct addition to water risks precipitation or phase separation.
- TPSA 3 Ų and 1 H-bond donors / 2 acceptors mean a small polar surface area usually favours compatibility with non-polar resins and oils.
- Molecular weight 416.7 g/mol: 1 mol = 416.7 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 416.365430770 supports HRMS identification (add a proton for [M+H]+).
- InChIKey QUEDXNHFTDJVIY-UHFFFAOYSA-N is the reliable cross-database identifier — more dependable than a trade or common name for ruling out hydrate/anhydrous and same-name-different-substance mix-ups.
Published properties of Tocopherol (by CAS 1406-66-2)
| Property | Value |
|---|---|
| Molecular formula | C28H48O2 |
| Molecular weight | 416.7 g/mol |
| Accurate mass | 416.365430770 |
| IUPAC name | 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol |
| InChIKey | QUEDXNHFTDJVIY-UHFFFAOYSA-N |
| XLogP | 10.3 |
| Topological polar surface area | 29.5 Ų |
| H-bond donors / acceptors | 1 / 2 |
| Rotatable bonds | 12 |
| Heavy atoms | 30 |
Computed values above: PubChem CID 14986; melting/boiling points, where shown, come from the site product page.
What the numbers mean in practice
| Aspect | Evidence and actionable conclusion |
|---|---|
| Solubility & compatibility | XLogP = 10.3 indicates lipophilic behaviour: poor aqueous dispersion requires a matched solvent, emulsifier or carrier, and direct addition to water risks precipitation or phase separation. |
| Molecular polarity | TPSA 3 Ų and 1 H-bond donors / 2 acceptors mean a small polar surface area usually favours compatibility with non-polar resins and oils. |
| Dosing & analytical checks | Molecular weight 416.7 g/mol: 1 mol = 416.7 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 416.365430770 supports HRMS identification (add a proton for [M+H]+). |
| Substance identity | InChIKey QUEDXNHFTDJVIY-UHFFFAOYSA-N is the reliable cross-database identifier — more dependable than a trade or common name for ruling out hydrate/anhydrous and same-name-different-substance mix-ups. |
| Crystallisation & incoming QC | 12 rotatable bonds: flexible molecules often crystallise slowly and form solvates. If caking or a broad melting range appears, check polymorph and residual solvent before rejecting the assay. |
Specification checklist for Food & Feed Raw Materials use
| Check | Why it matters | How to verify |
|---|---|---|
| Batch baseline (CAS 1406-66-2) | Product-specific values to check line by line against the COA and specification; salts and hydrates differ | 分子量 416.7 g/mol; XLogP 10.3; TPSA 3 Ų; InChIKey QUEDXNHFTDJVIY-UHFFFAOYSA-N |
| Grade & regulatory fit | Food/feed and industrial grades carry different statutory limits | Request the grade-specific COA and production licence; check against GB 1886 / FCC / USP or the customer spec |
| Batch-level safety indices | Heavy metals, arsenic, microbes and residual solvents are statutory; assay alone does not establish compliance | Match report lot numbers to the COA, retain samples and arrange third-party retest for critical lots |
| Assay basis & hydration | Anhydrous vs hydrated mass changes both dosing and settlement | State the assay basis in the contract; verify by loss on drying or Karl Fischer |
| Packaging & arrival retest | Hygroscopic materials cake and drift in assay after moisture uptake | Use moisture-barrier liners; retest water content and appearance on arrival with ambient humidity logged |
Frequently asked questions
What are the formula, molecular weight and identifiers of Tocopherol (CAS 1406-66-2)?
Formula C28H48O2, molecular weight 416.7 g/mol; accurate mass 416.365430770. CAS 1406-66-2 resolves the substance across PubChem and ChemSpider; InChIKey QUEDXNHFTDJVIY-UHFFFAOYSA-N distinguishes same-name substances, salts and hydrates. Use the molecular weight for stoichiometric conversion; purity and grade follow the batch COA.
Is Tocopherol suitable for Food & Feed Raw Materials applications, and what should be checked first?
Three checks: (1) the regulatory grade and production licence for the intended use; (2) impurity and safety indices plus test methods on the batch COA; (3) identity via CAS and substance identifiers to rule out hydrate/anhydrous or salt/free-form mix-ups. With XLogP 10.3 and TPSA 3 Ų, validate aqueous versus oil-phase dispersion by a bench test before fixing the addition method.
How is the dosage of Tocopherol calculated from molecular weight?
At 416.7 g/mol, 1 mol = 416.7 g. Blending, substitution and neutralisation should be calculated on molar equivalence, not by substituting mass parts of a related material. For hydrates or salts, adjust for active content and water of crystallisation from the COA.
What incoming-QC tests apply to Tocopherol on arrival?
At minimum: match the COA lot to the goods; retest assay and loss on drying / water; confirm identity via InChIKey QUEDXNHFTDJVIY-UHFFFAOYSA-N or spectroscopy; retain a sample with opening conditions logged. Caking, colour shift or a broad melting range should trigger polymorph and residual-solvent checks.
Related materials
- Magnesium Glycinate（CAS 14783-68-7）：CAS 14783-68-7: listed in the same Food & Feed Raw Materials directory — compare grade, test method and COA items
- Magnesium Glycerophosphate（CAS 927-20-8）：CAS 927-20-8: a separate CAS entry; compare impurity limits and packaging conditions for Food & Feed Raw Materials use
- Magnesium Citrate Nonahydrate（CAS 153531-96-5）：CAS 153531-96-5: when used in Food & Feed Raw Materials formulations, confirm addition order by a bench test before dosing
- Magnesium Citrate Anhydrous（CAS 3344-18-1）：CAS 3344-18-1: listed in the same Food & Feed Raw Materials directory — compare grade, test method and COA items
- Magnesium L-Threonate（CAS 778571-57-6）：CAS 778571-57-6: a separate CAS entry; compare impurity limits and packaging conditions for Food & Feed Raw Materials use
- Magnesium Gluconate（CAS 59625-89-7）：CAS 59625-89-7: when used in Food & Feed Raw Materials formulations, confirm addition order by a bench test before dosing
For side-by-side comparison see site search for Tocopherol, or browse the Organic Chemicals directory.
Supply & compliance
Jinan Shenghe Chemical Co., Ltd. supplies industrial and fine chemicals. When enquiring, state the product name, CAS, target grade and packaging; COA, SDS and technical data sheets are available with the shipment. Contact: info@chemsp.cn | +86-18553102138. This page is technical information for industrial raw materials; regulated food, feed, cosmetic or pharmaceutical uses require the corresponding grade and compliance with local rules.
Data sources
Source: PubChem computed properties, CID 14986 (https://pubchem.ncbi.nlm.nih.gov/compound/14986), accessed 2026-11-12; melting/boiling points, where shown, come from the site product page. Hydrates and salts carry different values — verify by CAS and InChIKey.