1,3-Dioxolane-4-methanol, 2,2-dimethyl (CAS 100-79-8) — Citrus N/A Note Fragrance Ingredient
1,3-Dioxolane-4-methanol, 2,2-dimethyl
CAS 100-79-8
What Is 1,3-Dioxolane-4-methanol, 2,2-dimethyl?
1,3-Dioxolane-4-methanol, 2,2-dimethyl is a synthetic compound primarily encountered in industrial applications and specialized chemical formulations. While not commonly used in consumer products, it may appear in certain niche fragrances or functional materials. Its significance lies in its potential as a versatile chemical intermediate, though its direct consumer applications are limited.
Safety Profile
PROFESSIONAL USEWhat Does 1,3-Dioxolane-4-methanol, 2,2-dimethyl Smell Like?
This synthetic compound lacks a distinctive odor profile, as it is primarily valued for its chemical properties rather than its olfactory characteristics. In industrial contexts, it may exhibit faint solvent-like notes, but these are not typically leveraged in perfumery.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CC1(C)OCC(CO)O1
Chemistry, Properties & Perfumer Guide
The Chemistry
1,3-Dioxolane-4-methanol, 2,2-dimethyl is a synthetic organic compound belonging to the dioxolane family. It is primarily used as an intermediate in chemical synthesis. The compound features a dioxolane ring with a methanol substituent, making it a versatile building block for more complex molecules. Its synthesis typically involves the reaction of appropriate glycols with aldehydes or ketones under acidic conditions.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial | N/A | N/A | Primarily used as a chemical intermediate |
Classic Accords
Tip: Not recommended for perfumery use due to lack of olfactory characteristics.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions listed.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
No RIFM safety assessment available.
Sustainability
As a synthetic compound, its environmental impact depends on production methods. No significant sustainability concerns are documented, but standard industrial chemical handling precautions apply.
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Physicochemical Properties
DTXSID: DTXSID9021845
Physical Properties
| Molecular Weight | 132.159 g/mol🔬 EPA CompTox |
| Density | 1.06 g/cm^3🔬 EPA CTX |
| Boiling Point | 188.5 °C🔬 EPA CTX |
| Melting Point | -27 °C🔬 EPA CTX |
| Flash Point | 80 °C🔬 EPA CTX |
| Refractive Index | 1.424 Dimensionless📊 OPERA |
| Molar Volume | 127.788 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | -0.6 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.049 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.049 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.91 Log10 unitless📊 OPERA |
| Water Solubility | 1.3 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.638 mmHg🔬 EPA CTX |
| Viscosity | 9.087 cP📊 OPERA |
| Surface Tension | 33.42 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.164 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 38.69 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 32.596 cm^3/mol📊 OPERA |
| Polarizability | 12.922 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.
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