Saccharin (CAS 81-07-2) — Sweet N/A Note Fragrance Ingredient
Saccharin
CAS 81-07-2
What Is Saccharin?
Saccharin is an artificial sweetener discovered in 1879. People encounter it in diet sodas, sugar-free gum, and tabletop sweeteners. It’s 300-400 times sweeter than sugar but leaves a metallic aftertaste. This matters because it was the first commercial artificial sweetener, revolutionizing food industry options for diabetics and calorie-conscious consumers despite ongoing debates about its safety profile.
Safety Profile
USE WITH AWARENESSWhat Does Saccharin Smell Like?
Saccharin presents an intensely sweet odor profile without the rounded warmth of natural sugars. The initial impression is a sharp, almost electric sweetness that quickly reveals subtle chemical undertones. As it dries down, a persistent metallic character emerges, reminiscent of copper pennies or aluminum foil. The sweetness lingers unnaturally long compared to sugar, creating a dissonant effect where the brain expects natural carbohydrate breakdown that never comes.
2D Molecular Structure
SMILES: O=C1NS(=O)(=O)C2=C1C=CC=C2
Chemistry, Properties & Perfumer Guide
The Chemistry
Saccharin (1,1-dioxo-1,2-benzothiazol-3-one) is a benzoic sulfimide compound. First synthesized via the Remsen-Fahlberg process oxidizing toluene derivatives. Modern production typically starts with methyl anthranilate. The molecule’s extraordinary sweetness comes from its ability to bind strongly to sweet taste receptors despite being non-carbohydrate. Its crystalline form is stable under most conditions but can degrade under extreme heat or alkaline pH.
Physical & Chemical Properties
| Melting Point | 228-230 °C |
|---|---|
| Solubility | 1 g/290 mL water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Food Products | 0.02-0.05% | Up to 0.1% | Beverage applications |
| Tabletop Sweeteners | 20-50 mg/dose | N/A | Often blended with other sweeteners |
Classic Accords
Tip: Not used in perfumery – strictly a food additive compound.
Alternatives & Comparisons
Preferred in beverages for cleaner sweet profile but lacks heat stability of saccharin.
Chlorinated sucrose derivative with no metallic aftertaste but higher production costs.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not regulated by IFRA – falls under food additive regulations.
GHS Classification
RIFM Assessment
Not evaluated by RIFM – assessed by JECFA for food safety.
Sustainability
Saccharin production involves petrochemical derivatives and generates hazardous waste streams. While its extreme potency reduces total material needs, the environmental impact per kilogram remains significant compared to natural sweeteners. Some manufacturers have implemented closed-loop systems to recover solvents and reduce emissions.
Explore Saccharin
Browse essential oils and aroma compounds.
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References
- FDA (2019). Additional Information about High-Intensity Sweeteners. FDA Guidance
- Arnold et al. (1983). Saccharin reviewed. Toxicology. PMID 6353663
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPerfumers Notes
Odor Profile
Odorless.
Standard Dilution
10% in DPG (standard dilution for most fragrance materials)
Ingredient Data Sheet
CAS 81-07-2Physical Properties
| Molecular Weight | 183.19 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 0.9🔬 PubChem |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 161.3 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -3.178💻 Calculated |
| SMILES | C1=CC=C2C(=C1)C(=O)NS2(=O)=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | odorless• leffingwell |
| Functional Groups | aromatic💻 RDKit |
| “heavy, sweet and tenacious", but there seems to be some difficulty in obtaining samples of identical odor from various suppliers.”📖 Arctander | |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID5021251
Physical Properties
| Molecular Weight | 183.18 g/mol🔬 EPA CompTox |
| Density | 0.9 g/cm^3🔬 EPA CTX |
| Boiling Point | 320.1 °C🔬 EPA CTX |
| Melting Point | 228.6 °C🔬 EPA CTX |
| Flash Point | 161.65 °C🔬 EPA CTX |
| Refractive Index | 1.631 Dimensionless📊 OPERA |
| Molar Volume | 117.628 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.164 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | -0.365 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -1.188 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.77 Log10 unitless📊 OPERA |
| Water Solubility | 0.108 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Surface Tension | 58.623 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 63.24 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 41.918 cm^3/mol📊 OPERA |
| Polarizability | 16.617 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.
