Glycine, N,N’-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt (CAS 64-02-8) — Citrus N/A Note Fragrance Ingredient
Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt
CAS 64-02-8
What Is Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt?
This synthetic compound is a specialized chelating agent primarily used in industrial applications and cleaning formulations. While not directly used in perfumery, it plays a role in stabilizing certain fragrance ingredients in household products. Its importance lies in its ability to bind metal ions that might otherwise degrade or discolor fragrances in detergents and cleaners.
Safety Profile
GENERALLY SAFEWhat Does Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt Smell Like?
This compound has no discernible odor profile as it is not used for its aromatic properties. Its function is purely chemical, serving as a stabilizer in formulations rather than contributing to scent characteristics.
2D Molecular Structure
SMILES: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This tetrasodium salt is a synthetic chelating agent derived from glycine, functioning through its multiple carboxylate groups that can coordinate metal ions. It is produced through chemical synthesis rather than being found in nature. The molecule’s structure allows it to effectively sequester metal ions that could catalyze oxidation or other degradation processes in formulated products.
Physical & Chemical Properties
| Appearance | White crystalline powder |
|---|---|
| Solubility | Highly water soluble |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Formulations | 0.1-1% | Up to 5% | Used as stabilizer in cleaning products |
Classic Accords
Tip: This material is not used directly in fragrance creation but may be present in base formulations for functional purposes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA as it is not a fragrance ingredient.
RIFM Assessment
Not assessed by RIFM as it is not a fragrance material.
Sustainability
As a synthetic compound, its environmental impact depends on manufacturing processes. Being water-soluble, it does not bioaccumulate but should be properly treated in wastewater systems.
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Physicochemical Properties
DTXSID: DTXSID3026350
Physical Properties
| Molecular Weight | 380.171 g/mol🔬 EPA CompTox |
| Density | 0.763 g/cm^3🔬 EPA CTX |
| Boiling Point | 318 °C📊 OPERA |
| Melting Point | 164 °C📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | -1.51 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | -6.76 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -8.66 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.38 Log10 unitless📊 OPERA |
| Water Solubility | 1.797 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 167 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 10 count💻 Computed |
| Rotatable Bonds | 11 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 52.91 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.
