1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- (CAS 131812-48-1) — Citrus Unknown Note Fragrance Ingredient
1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-
CAS 131812-48-1
What Is 1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-?
This synthetic fragrance compound is a specialty ingredient used in modern perfumery to create unique effects. While not commonly encountered by name, it may be part of complex accords in niche or designer fragrances.
Safety Profile
USE WITH AWARENESSWhat Does 1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- Smell Like?
The olfactory profile of this compound is not well-documented in publicly available sources. As a synthetic fragrance material, it likely contributes subtle complexity to modern perfume compositions rather than serving as a dominant note. Its long chemical name suggests it may be used to modify or extend other materials rather than provide a distinctive character of its own.
2D Molecular Structure
SMILES: CC1COC(C)(O1)C1=CC2=C(C=C1C)C(C)(C)C(C)CC2(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
This synthetic compound belongs to the dioxolane class of chemicals, which are often used in perfumery as fixatives or modifiers. The complex structure suggests it may function as a musk alternative or woody-amber material. The tetrahydro-naphthalene moiety indicates potential for creating long-lasting base notes with subtle aromatic qualities.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | Trace amounts | Up to 1% | Specialty modifier |
Classic Accords
Tip: Use in trace amounts to test effect before scaling up.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions found.
RIFM Assessment
No RIFM assessment data available.
Sustainability
As a synthetic material, this compound’s environmental impact depends on production methods. Without specific manufacturing data, sustainability considerations cannot be fully assessed.
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Physicochemical Properties
DTXSID: DTXSID90869805
Physical Properties
| Molecular Weight | 316.485 g/mol🔬 EPA CompTox |
| Density | 0.942 g/cm^3📊 OPERA |
| Boiling Point | 351.061 °C📊 OPERA |
| Melting Point | 29.033 °C📊 OPERA |
| Flash Point | 175.26 °C📊 OPERA |
| Refractive Index | 1.486 Dimensionless📊 OPERA |
| Molar Volume | 333.325 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 6.194 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 6.194 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 6.194 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.4 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 |
| Surface Tension | 32.377 dyn/cm📊 OPERA |
| Thermal Conductivity | 107.503 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 18.46 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 95.773 cm^3/mol📊 OPERA |
| Polarizability | 37.967 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.
