2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran (CAS 7416-35-5) — Woody Middle Note Fragrance Ingredient
2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran
CAS 7416-35-5
What Is 2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran?
2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran is a synthetic fragrance ingredient used in perfumery to add woody, green, or slightly fruity nuances. It’s found in various consumer products like air fresheners and cleaning supplies. This molecule helps perfumers create complex scent profiles by contributing subtle background notes that enhance other ingredients.
Safety Profile
GENERALLY SAFEWhat Does 2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran Smell Like?
This synthetic molecule offers a subtle woody-green character with faint fruity undertones. Initially presenting a crisp, slightly camphoraceous top note, it evolves into a clean, dry woody heart reminiscent of freshly cut lumber. The dry-down reveals a faintly sweet, almost balsamic quality that lingers close to the skin. Its odor profile is more structural than dominant, often used to add depth and diffusion to green and woody accords without overwhelming other notes.
2D Molecular Structure
SMILES: CC=C(C)C1CCC(O1)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran belongs to the tetrahydrofuran class of heterocyclic compounds. As a synthetic material, it’s produced through acid-catalyzed cyclization of appropriate diol precursors or through Diels-Alder reactions. The molecule features a tetrahydrofuran ring substituted with two methyl groups at the 2-position and a 1-methylpropenyl group at the 5-position, creating a relatively rigid structure that influences its volatility and odor characteristics.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Functional Fragrance | 0.5-2% | Up to 5% | Background modifier |
| Fine Fragrance | 0.1-1% | Up to 3% | Accent note |
Classic Accords
Tip: Use as a bridge between citrus top notes and woody base notes.
Alternatives & Comparisons
A more pronounced woody alternative with sandalwood characteristics, useful when greater projection is needed.
Offers similar woody-green properties but with better tenacity and richer tonal quality.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No specific RIFM assessment found for this material.
Sustainability
As a synthetic material, this compound is produced through controlled chemical processes with minimal environmental impact compared to natural alternatives. Its production doesn’t rely on scarce natural resources, and the synthetic route typically offers consistent quality and purity without seasonal variations.
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Ingredient Data Sheet
CAS 7416-35-5Physical Properties
| Molecular Weight | 154.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.7🔬 PubChem |
| log Kp (skin permeability) | -1.724💻 Calculated |
| SMILES | CC=C(C)C1CCC(O1)(C)C🔬 PubChem |
Odor & Flavor
| Functional Groups | etheralkene💻 RDKit |
| 2,2-Dimethyl-5-(1-methylpropen-1-yl)-tetrahydrofuran has a citrus odor.📖 Fenaroli | |
Physical 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
Physical Properties
| Molecular Weight | 154.25 g/mol🔬 PubChem |
| Density | 0.858 g/cm^3🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 2.7 Log10 unitless🔬 PubChem |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Molar Refractivity | 47.62 cm^3/mol💻 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.
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