4,5,6,7,8,9,10,11,12,13-Decahydrocyclododecaoxazole (CAS 38303-23-0) — Citrus Unknown Note Fragrance Ingredient
4,5,6,7,8,9,10,11,12,13-Decahydrocyclododecaoxazole
CAS 38303-23-0
What Is 4,5,6,7,8,9,10,11,12,13-Decahydrocyclododecaoxazole?
4,5,6,7,8,9,10,11,12,13-Decahydrocyclododecaoxazole is a synthetic fragrance compound primarily used in industrial and specialty fragrance applications. Consumers may encounter it in functional products like air fresheners or cleaning agents. This ingredient matters because it represents a class of synthetic molecules designed to create unique olfactory effects that aren’t easily achievable with natural materials.
Safety Profile
USE WITH AWARENESSWhat Does 4,5,6,7,8,9,10,11,12,13-Decahydrocyclododecaoxazole Smell Like?
No specific odor description available for this obscure synthetic compound. As a cyclododecaoxazole derivative, it likely possesses complex molecular characteristics that could translate to nuanced olfactory properties, potentially exhibiting woody, musky, or ozonic notes with possible heterocyclic nuances. The exact olfactory profile remains undocumented in public literature.
2D Molecular Structure
SMILES: C1CCCCCC2=C(CCCC1)OC=N2
Chemistry, Properties & Perfumer Guide
The Chemistry
This compound belongs to the heterocyclic class of oxazole derivatives, specifically a saturated cyclododecaoxazole structure. As a synthetic material, it would typically be produced through specialized organic synthesis routes involving cyclization reactions. The saturated nature suggests greater stability compared to aromatic analogs, while the oxazole ring provides potential for interesting olfactory characteristics.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Fragrance | Unknown | Unknown | Specialty applications |
Classic Accords
Tip: Consult manufacturer’s technical data sheet for specific usage guidelines.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently listed.
RIFM Assessment
No RIFM assessment found.
Sustainability
As a synthetic compound, production would involve petrochemical feedstocks and specialized chemical processes. Environmental impact depends on manufacturing practices and waste management. No specific sustainability data available for this obscure material.
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Physicochemical Properties
DTXSID: DTXSID9068087
Physical Properties
| Molecular Weight | 207.317 g/mol🔬 EPA CompTox |
| Density | 0.983 g/cm^3📊 OPERA |
| Boiling Point | 282.916 °C📊 OPERA |
| Melting Point | 7.565 °C📊 OPERA |
| Flash Point | 128.791 °C📊 OPERA |
| Refractive Index | 1.471 Dimensionless📊 OPERA |
| Molar Volume | 218.71 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.287 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.286 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.287 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.46 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 17.838 cP📊 OPERA |
| Surface Tension | 33.742 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.03 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 61.1 cm^3/mol📊 OPERA |
| Polarizability | 24.222 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.
