NIACINAMIDE ASCORBATE (CAS 1987-71-9): Properties, Molar Dosing and a Sourcing Checklist
NIACINAMIDE ASCORBATE (CAS 1987-71-9; InChIKey JMORAWFVNMGOKQ-MGMRMFRLSA-N) is a chemical raw material used in Cosmetic & Personal-Care Raw Materials, with formula C12H14N2O7 and molecular weight 298.25 g/mol. This page lists database-verifiable properties, what those values imply for formulation and QC, and a specification checklist for Cosmetic & Personal-Care Raw Materials applications.
Key takeaways
- TPSA 163 Ų and 5 H-bond donors / 8 acceptors mean a large polar surface area generally limits membrane permeation and solubility in non-polar media.
- Molecular weight 298.25 g/mol: 1 mol = 298.25 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 298.08010079 supports HRMS identification (add a proton for [M+H]+).
- InChIKey JMORAWFVNMGOKQ-MGMRMFRLSA-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.
- 3 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.
Published properties of NIACINAMIDE ASCORBATE (by CAS 1987-71-9)
| Property | Value |
|---|---|
| Molecular formula | C12H14N2O7 |
| Molecular weight | 298.25 g/mol |
| Accurate mass | 298.08010079 |
| IUPAC name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;pyridine-3-carboxamide |
| InChIKey | JMORAWFVNMGOKQ-MGMRMFRLSA-N |
| Topological polar surface area | 163 Ų |
| H-bond donors / acceptors | 5 / 8 |
| Rotatable bonds | 3 |
| Heavy atoms | 21 |
Computed values above: PubChem CID 54710212; melting/boiling points, where shown, come from the site product page.
What the numbers mean in practice
| Aspect | Evidence and actionable conclusion |
|---|---|
| Molecular polarity | TPSA 163 Ų and 5 H-bond donors / 8 acceptors mean a large polar surface area generally limits membrane permeation and solubility in non-polar media. |
| Dosing & analytical checks | Molecular weight 298.25 g/mol: 1 mol = 298.25 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 298.08010079 supports HRMS identification (add a proton for [M+H]+). |
| Substance identity | InChIKey JMORAWFVNMGOKQ-MGMRMFRLSA-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 | 3 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 Cosmetic & Personal-Care Raw Materials use
| Check | Why it matters | How to verify |
|---|---|---|
| Batch baseline (CAS 1987-71-9) | Product-specific values to check line by line against the COA and specification; salts and hydrates differ | 分子量 298.25 g/mol; TPSA 163 Ų; InChIKey JMORAWFVNMGOKQ-MGMRMFRLSA-N |
| Regulatory status | Ingredient permissions, limits and labelling differ by market | Check the target-market inventory and conditions of use; obtain the required compliance declarations |
| Purity, odour & colour | Trace impurities affect finished-product odour, colour and stability | Specify colour, odour, acid value or pH and compare every lot against a retained sample |
| Compatibility | Surfactants, thickeners and preservatives can cause precipitation or deactivation | Run bench tests at target pH and electrolyte level plus freeze-thaw cycling |
| Microbial control | Aqueous systems are sensitive to bioburden | Verify microbial limits and packaging; prevent post-opening contamination |
Frequently asked questions
What are the formula, molecular weight and identifiers of NIACINAMIDE ASCORBATE (CAS 1987-71-9)?
Formula C12H14N2O7, molecular weight 298.25 g/mol; accurate mass 298.08010079. CAS 1987-71-9 resolves the substance across PubChem and ChemSpider; InChIKey JMORAWFVNMGOKQ-MGMRMFRLSA-N distinguishes same-name substances, salts and hydrates. Use the molecular weight for stoichiometric conversion; purity and grade follow the batch COA.
Is NIACINAMIDE ASCORBATE suitable for Cosmetic & Personal-Care 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 limited published property data, determine solubility and addition method by bench testing rather than inference from related materials.
How is the dosage of NIACINAMIDE ASCORBATE calculated from molecular weight?
At 298.25 g/mol, 1 mol = 298.25 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 NIACINAMIDE ASCORBATE on arrival?
At minimum: match the COA lot to the goods; retest assay and loss on drying / water; confirm identity via InChIKey JMORAWFVNMGOKQ-MGMRMFRLSA-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
- 2,6-Dimethoxyphenol（CAS 91-10-1）：CAS 91-10-1: listed in the same Cosmetic & Personal-Care Raw Materials directory — compare grade, test method and COA items
- Methyl phenethyl ether（CAS 3558-60-9）：CAS 3558-60-9: a separate CAS entry; compare impurity limits and packaging conditions for Cosmetic & Personal-Care Raw Materials use
- Rotundone（CAS 14765-30-1）：CAS 14765-30-1: when used in Cosmetic & Personal-Care Raw Materials formulations, confirm addition order by a bench test before dosing
- Ammonium bromide（CAS 12124-97-9）：shares the 'mide' parent fragment — compare formula and molecular weight to identify salt, ester or hydrate form
- Acetylsalicylic acid（CAS 50-78-2）：CAS 50-78-2: a separate CAS entry; compare impurity limits and packaging conditions for Cosmetic & Personal-Care Raw Materials use
- Aluminium stearate（CAS 637-12-7）：CAS 637-12-7: when used in Cosmetic & Personal-Care Raw Materials formulations, confirm addition order by a bench test before dosing
For side-by-side comparison see site search for NIACINAMIDE ASCORBATE, 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 54710212 (https://pubchem.ncbi.nlm.nih.gov/compound/54710212), accessed 2026-11-13; melting/boiling points, where shown, come from the site product page. Hydrates and salts carry different values — verify by CAS and InChIKey.