Selecting Vitamin C for Pharmaceutical Intermediates & APIs: mechanism, companions and pitfalls
Vitamin C (CAS 50-81-7; InChIKey CIWBSHSKHKDKBQ-JLAZNSOCSA-N) is a chemical raw material used in Food & Feed Raw Materials, with formula C6H8O6 and molecular weight 176.12 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 = -1.6 indicates a strongly hydrophilic substance: it disperses readily in aqueous systems, yet is hygroscopic — use moisture-barrier liners and re-test water content on arrival; for oil phases, solubilisation or salt formation must be evaluated first.
- TPSA 107 Ų and 4 H-bond donors / 6 acceptors mean hydrogen bonding with alcohol-, water- or amide-containing systems warrants a viscosity and clarity check after blending.
- Molecular weight 176.12 g/mol: 1 mol = 176.12 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 176.03208797 supports HRMS identification (add a proton for [M+H]+).
- InChIKey CIWBSHSKHKDKBQ-JLAZNSOCSA-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 Vitamin C (by CAS 50-81-7)
| Property | Value |
|---|---|
| Molecular formula | C6H8O6 |
| Molecular weight | 176.12 g/mol |
| Accurate mass | 176.03208797 |
| IUPAC name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChIKey | CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
| XLogP | -1.6 |
| Topological polar surface area | 107 Ų |
| H-bond donors / acceptors | 4 / 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 12 |
| Melting point (product page) | 191 °C |
Computed values above: PubChem CID 54670067; 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 = -1.6 indicates a strongly hydrophilic substance: it disperses readily in aqueous systems, yet is hygroscopic — use moisture-barrier liners and re-test water content on arrival; for oil phases, solubilisation or salt formation must be evaluated first. |
| Molecular polarity | TPSA 107 Ų and 4 H-bond donors / 6 acceptors mean hydrogen bonding with alcohol-, water- or amide-containing systems warrants a viscosity and clarity check after blending. |
| Dosing & analytical checks | Molecular weight 176.12 g/mol: 1 mol = 176.12 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 176.03208797 supports HRMS identification (add a proton for [M+H]+). |
| Substance identity | InChIKey CIWBSHSKHKDKBQ-JLAZNSOCSA-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 | 2 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 50-81-7) | Product-specific values to check line by line against the COA and specification; salts and hydrates differ | 分子量 176.12 g/mol; XLogP -1.6; TPSA 107 Ų; InChIKey CIWBSHSKHKDKBQ-JLAZNSOCSA-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 Vitamin C (CAS 50-81-7)?
Formula C6H8O6, molecular weight 176.12 g/mol; accurate mass 176.03208797. CAS 50-81-7 resolves the substance across PubChem and ChemSpider; InChIKey CIWBSHSKHKDKBQ-JLAZNSOCSA-N distinguishes same-name substances, salts and hydrates. Use the molecular weight for stoichiometric conversion; purity and grade follow the batch COA.
Is Vitamin C 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 -1.6 and TPSA 107 Ų, validate aqueous versus oil-phase dispersion by a bench test before fixing the addition method.
How is the dosage of Vitamin C calculated from molecular weight?
At 176.12 g/mol, 1 mol = 176.12 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 Vitamin C on arrival?
At minimum: match the COA lot to the goods; retest assay and loss on drying / water; confirm identity via InChIKey CIWBSHSKHKDKBQ-JLAZNSOCSA-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
- 4 anisic acid（CAS 100-09-4）：CAS 100-09-4: listed in the same Food & Feed Raw Materials directory — compare grade, test method and COA items
- 4 dimethylamino benzaldehyde（CAS 100-10-7）：shares the 'amin' core; before substituting, check the CAS and molecular-weight gap, as salt formation adds a counter-ion
- terephthalic acid（CAS 100-21-0）：CAS 100-21-0: when used in Food & Feed Raw Materials formulations, confirm addition order by a bench test before dosing
- 2 5 pyridinedicarboxylic acid（CAS 100-26-5）：CAS 100-26-5: listed in the same Food & Feed Raw Materials directory — compare grade, test method and COA items
- 2 diethylaminoethanethiol（CAS 100-38-9）：shares the 'amin' core; before substituting, check the CAS and molecular-weight gap, as salt formation adds a counter-ion
- cyclamic acid（CAS 100-88-9）：CAS 100-88-9: 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 Vitamin C, 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 54670067 (https://pubchem.ncbi.nlm.nih.gov/compound/54670067), accessed 2026-11-09; melting/boiling points, where shown, come from the site product page. Hydrates and salts carry different values — verify by CAS and InChIKey.