Calciate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium, hydrate (CAS 23411-34-9) — Citrus N/A Note Fragrance Ingredient
Calciate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium, hydrate
CAS 23411-34-9
What Is Calciate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium, hydrate?
This synthetic compound is a specialized chelating agent primarily used in industrial applications and some pharmaceutical formulations. Consumers may encounter it in trace amounts in certain medical products or water treatment systems. While not a fragrance ingredient, it plays a role in stabilizing formulations where metal ions could cause degradation or discoloration.
Safety Profile
PROFESSIONAL USEWhat Does Calciate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium, hydrate Smell Like?
This compound is odorless and does not contribute to fragrance profiles. As a chelating agent, its primary function is chemical stabilization rather than olfactory characteristics. In formulations, it works silently to bind metal ions that could otherwise catalyze oxidation or cause product instability.
2D Molecular Structure
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Ca+2]
Chemistry, Properties & Perfumer Guide
The Chemistry
This calcium EDTA complex is a synthetic coordination compound where calcium ions are chelated by ethylenediaminetetraacetate ligands. The disodium hydrate form improves water solubility. It’s produced through controlled reactions of calcium salts with EDTA in aqueous solutions, followed by crystallization. The compound’s square antiprismatic geometry around the calcium center provides exceptional metal ion binding capacity.
Physical & Chemical Properties
| Appearance | White crystalline powder |
|---|---|
| Solubility | Water soluble |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Pharmaceuticals | 0.01-0.1% | Up to 0.5% | Stabilization agent |
| Industrial | 0.5-2% | Up to 5% | Water treatment |
Classic Accords
Tip: Use as a stabilizer in formulations prone to metal-catalyzed degradation.
Alternatives & Comparisons
More common chelating agent without calcium, used when calcium presence is undesirable.
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.
RIFM Assessment
Not evaluated by RIFM as it’s not a fragrance ingredient.
Sustainability
Synthesized from petrochemical precursors, this compound is not biodegradable but is used at very low concentrations. Proper disposal is required to prevent environmental accumulation. Industrial-scale production minimizes waste through efficient reaction pathways.
Explore Calciate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium, hydrate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Ingredient Data Sheet
CAS 23411-34-9Physical Properties
| Molecular Weight | 410.3 g/mol🔬 PubChem |
| SMILES | C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Ca+2]🔬 PubChem |
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: DTXSID301085523
Physical Properties
| Molecular Weight | 410.3 g/mol🔬 PubChem |
Molecular Descriptors
| Topological Polar Surface Area | 230 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 10 count💻 Computed |
| Rotatable Bonds | 11 count💻 Computed |
| Molar Refractivity | 65.89 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.
