Benzenesulfonic acid, dodecyl(sulfophenoxy)-, disodium salt (CAS 28519-02-0) — Citrus Non-olfactive Note Fragrance Ingredient
Benzenesulfonic acid, dodecyl(sulfophenoxy)-, disodium salt
CAS 28519-02-0
What Is Benzenesulfonic acid, dodecyl(sulfophenoxy)-, disodium salt?
This synthetic compound is primarily used as a surfactant in industrial applications and cleaning products. Consumers may encounter it in detergents or emulsifiers where its molecular structure helps dissolve oils. While not typically used in perfumery, its chemical properties make it valuable for creating stable formulations in household and industrial products where fragrance performance matters.
Safety Profile
PROFESSIONAL USEWhat Does Benzenesulfonic acid, dodecyl(sulfophenoxy)-, disodium salt Smell Like?
This compound is odorless in its pure form, functioning primarily as a surfactant rather than a fragrance ingredient. Its molecular structure is designed for solubility and emulsification properties rather than olfactory characteristics. In formulations, it serves as an invisible backbone that enables other fragrance materials to perform effectively without contributing its own scent profile.
2D Molecular Structure
SMILES: CCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)OC2=CC=CC=C2S(=O)(=O)O
Chemistry, Properties & Perfumer Guide
The Chemistry
A synthetic sulfonated surfactant belonging to the alkylbenzene sulfonate class. The molecule features a dodecyl chain attached to a benzene ring with sulfophenoxy and sulfonic acid groups, neutralized as the disodium salt. This structure creates excellent water solubility and surface activity. Produced through sulfonation of alkylbenzenes followed by neutralization, it’s valued for its detergent properties rather than fragrance characteristics.
Physical & Chemical Properties
| Appearance | White to off-white powder |
|---|---|
| Solubility | Highly water soluble |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Cleaners | 5-15% | 1-20% | Primary surfactant |
| Household Detergents | 3-10% | 1-15% | Emulsifying agent |
Classic Accords
Tip: Use as a solubilizer for fragrance oils in aqueous systems.
Alternatives & Comparisons
More common anionic surfactant with similar emulsifying properties but different solubility profile.
Simpler alkylbenzene sulfonate with comparable surfactant performance.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not regulated by IFRA as it’s not a fragrance material.
GHS Classification
RIFM Assessment
Not evaluated by RIFM as it’s not a fragrance ingredient.
Sustainability
As a synthetic surfactant, production involves petrochemical feedstocks. Biodegradability depends on molecular structure – linear alkyl chains degrade more readily than branched. Manufacturers typically optimize formulations for environmental compatibility while maintaining performance. Not derived from renewable resources in current commercial production.
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Ingredient Data Sheet
CAS 28519-02-0Physical Properties
| Molecular Weight | 498.7 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 7.2🔬 PubChem |
| log Kp (skin permeability) | -0.63💻 Calculated |
| SMILES | CCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)OC2=CC=CC=C2S(=O)(=O)O🔬 PubChem |
Odor & Flavor
| Functional Groups | etheraromatic💻 RDKit |
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: DTXSID9027944
Physical Properties
| Molecular Weight | 498.7 g/mol🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 7.2 Log10 unitless🔬 PubChem |
Molecular Descriptors
| Topological Polar Surface Area | 117.97 Ų💻 Computed |
| H-Bond Donors | 2 count💻 Computed |
| H-Bond Acceptors | 5 count💻 Computed |
| Rotatable Bonds | 15 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 128.14 cm^3/mol💻 Computed |
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.
