Niacinamide (CAS 98-92-0) — Citrus Heart Note Fragrance Ingredient
Niacinamide
CAS 98-92-0
What Is Niacinamide?
Niacinamide is a form of vitamin B3 found in skincare products and dietary supplements. It helps improve skin barrier function and reduce inflammation. This synthetic compound is odorless and widely used in cosmetics for its stability and skin benefits.
Safety Profile
GENERALLY SAFEWhat Does Niacinamide Smell Like?
Niacinamide is odorless, making it a versatile ingredient in fragrance-free formulations. Its neutral scent profile allows it to blend seamlessly without altering the intended olfactory character of a product.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: NC(=O)C1=CC=CN=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Niacinamide, or pyridine-3-carboxamide, is a water-soluble vitamin B3 derivative. It is synthesized through the amidation of nicotinic acid. The molecule features a pyridine ring with a carboxamide group at the 3-position, contributing to its stability and solubility. Its low XLogP (-0.4) indicates high hydrophilicity.
Physical & Chemical Properties
| Boiling Point | 302 to 320 °F at 760 mmHg |
|---|---|
| Melting Point | 264 to 268 °F |
| Flash Point | 182 °C |
| Density | 1.4 g/cm³ |
| Vapor Pressure | 3.1 kPa at 35 °C |
| Refractive Index | 1.466 at 25 °C |
| Solubility | ≥100 mg/mL at 70 °F |
| Appearance | White powder or needles |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Skincare | 2-5% | Up to 10% | Improves skin barrier and reduces inflammation |
| Dietary Supplements | Varies | As per RDA | Essential nutrient |
Classic Accords
Tip: Use niacinamide in fragrance-free formulations for its skin benefits without altering scent profiles.
Alternatives & Comparisons
Nicotinic acid, another form of vitamin B3, used when a different solubility profile is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No IFRA restrictions apply to niacinamide.
RIFM Assessment
RIFM has not assessed niacinamide as it is not a fragrance ingredient.
Sustainability
Niacinamide is synthetically produced, ensuring consistent quality and reducing environmental impact compared to natural extraction methods. Its production is scalable and efficient, minimizing waste.
Explore Niacinamide
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References
- PubChem Compound Summary for CID 936 PubChem 936
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID2020929
Physical Properties
| Molecular Weight | 122.127 g/mol🔬 EPA CompTox |
| Density | 1.4 g/cm^3🔬 EPA CTX |
| Boiling Point | 155.667 °C🔬 EPA CTX |
| Melting Point | 129.826 °C🔬 EPA CTX |
| Flash Point | 169.05 °C🔬 EPA CTX |
| Refractive Index | 1.57 Dimensionless📊 OPERA |
| Molar Volume | 101.358 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | -0.315 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | -1.307 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -0.551 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.45 Log10 unitless📊 OPERA |
| Water Solubility | 4.772 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Surface Tension | 54.863 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 55.98 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 33.274 cm^3/mol📊 OPERA |
| Polarizability | 13.191 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
