Poly(oxy-1,2-ethanediyl), a-[4-(1,1,3,3-tetramethylbutyl)phenyl]-w-hydroxy- (CAS 9002-93-1) — Citrus N/A Note Fragrance Ingredient
Poly(oxy-1,2-ethanediyl), a-[4-(1,1,3,3-tetramethylbutyl)phenyl]-w-hydroxy-
CAS 9002-93-1
What Is Poly(oxy-1,2-ethanediyl), a-[4-(1,1,3,3-tetramethylbutyl)phenyl]-w-hydroxy-?
Poly(oxy-1,2-ethanediyl), a-[4-(1,1,3,3-tetramethylbutyl)phenyl]-w-hydroxy- is a synthetic chemical used in industrial applications and some specialty products. While not commonly found in consumer goods, it may appear in certain industrial formulations or as a component in complex mixtures. This ingredient is primarily of interest to chemists and formulators rather than end consumers due to its specialized properties and applications in non-consumer products.
Safety Profile
PROFESSIONAL USEWhat Does Poly(oxy-1,2-ethanediyl), a-[4-(1,1,3,3-tetramethylbutyl)phenyl]-w-hydroxy- Smell Like?
This synthetic compound does not have a distinctive odor profile that would make it notable in fragrance applications. Its primary characteristics are related to its chemical properties rather than olfactory qualities. As an industrial chemical, it is not typically used for its scent and lacks the evolution of top/heart/base notes found in traditional fragrance ingredients.
2D Molecular Structure
SMILES: CC(C)(C)CC(C)(C)C1=CC=C(OCCO)C=C1 |c:16,t:8,10,lp:12:2,15:2,Sg:n:12,13,14::ht|
Chemistry, Properties & Perfumer Guide
The Chemistry
Poly(oxy-1,2-ethanediyl), a-[4-(1,1,3,3-tetramethylbutyl)phenyl]-w-hydroxy- is a synthetic polymer with a complex structure featuring an aromatic ring and polyethylene glycol chain. It belongs to the class of alkylphenol ethoxylates, which are known for their surfactant properties. The compound is produced through ethoxylation reactions of alkylphenols under controlled industrial conditions. Its molecular characteristics make it more suitable for industrial applications rather than fragrance formulation due to its lack of volatile aromatic properties.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial | N/A | N/A | Not used in fragrances |
Classic Accords
Tip: Not recommended for use in perfumery due to lack of desirable olfactory properties.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not regulated by IFRA as it is not used in fragrance applications.
RIFM Assessment
No RIFM assessment available as this is not a fragrance material.
Sustainability
As an industrial chemical, the sustainability considerations for this compound relate primarily to its production processes and potential environmental impact. Being a synthetic material, it doesn’t involve natural resource extraction but may require careful handling in manufacturing to minimize environmental release. Proper disposal methods should be followed to prevent contamination of water systems.
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Ingredient Data Sheet
CAS 9002-93-1Physical 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: DTXSID8034085
Partition & Solubility
| LogP (Octanol-Water) | 3.772 dimensionless💻 Computed |
Molecular Descriptors
| Topological Polar Surface Area | 29.46 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 1 count💻 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.
