2-(2 Hydroxy-5-tert-oxyphenyl) benzotriazole (CAS 3147-75-9) — Citrus N/A Note Fragrance Ingredient
2-(2 Hydroxy-5-tert-oxyphenyl) benzotriazole
CAS 3147-75-9
What Is 2-(2 Hydroxy-5-tert-oxyphenyl) benzotriazole?
2-(2 Hydroxy-5-tert-oxyphenyl) benzotriazole is a synthetic chemical primarily used in industrial applications like UV stabilizers for plastics and coatings. Consumers might encounter it in automotive parts, packaging materials, or outdoor furniture. This compound plays a crucial role in extending product lifespans by protecting against sun damage, though it’s not commonly used in personal care or fragrance products due to its industrial nature.
Safety Profile
PROFESSIONAL USEWhat Does 2-(2 Hydroxy-5-tert-oxyphenyl) benzotriazole Smell Like?
This compound is not known for its odor profile as it is primarily used for its UV stabilizing properties rather than in fragrance applications. It lacks the characteristic scent typically associated with fragrance ingredients and is not utilized in perfumery.
2D Molecular Structure
SMILES: CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-(2 Hydroxy-5-tert-oxyphenyl) benzotriazole is a synthetic organic compound belonging to the benzotriazole class, known for its UV-absorbing properties. It is synthesized through the reaction of phenolic compounds with benzotriazole derivatives, forming a structure that effectively absorbs ultraviolet light. The compound is typically used in industrial applications to prevent polymer degradation from UV exposure.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial | 0.1-1% | Up to 2% | UV stabilizer in plastics and coatings |
Classic Accords
Tip: This ingredient is not suitable for perfumery applications.
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.
GHS Classification
RIFM Assessment
No RIFM assessment available for this industrial compound.
Sustainability
As a synthetic UV stabilizer, this compound is produced through chemical synthesis with considerations for industrial waste management. Its environmental impact is primarily assessed in terms of its persistence and potential bioaccumulation in industrial settings rather than in consumer products.
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Physicochemical Properties
DTXSID: DTXSID9027522
Physical Properties
| Molecular Weight | 323.44 g/mol🔬 EPA CompTox |
| Density | 1.18 g/cm^3🔬 EPA CTX |
| Boiling Point | 392.981 °C📊 OPERA |
| Melting Point | 103.675 °C🔬 EPA CTX |
| Flash Point | 239.831 °C📊 OPERA |
| Refractive Index | 1.585 Dimensionless📊 OPERA |
| Molar Volume | 292.855 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.951 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.95 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.865 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 10.82 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Surface Tension | 39.388 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 50.94 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 3 count💻 Computed |
| Molar Refractivity | 98.128 cm^3/mol📊 OPERA |
| Polarizability | 38.901 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.
