3-Methylbut-3-en-1-ol (CAS 763-32-6) — Green Top to mid Note Fragrance Ingredient
3-Methylbut-3-en-1-ol
CAS 763-32-6
What Is 3-Methylbut-3-en-1-ol?
3-Methylbut-3-en-1-ol is a synthetic fragrance ingredient used to add fresh, green, and slightly fruity nuances to perfumes. It’s commonly found in modern floral and citrus fragrances. This molecule matters because it provides a crisp, natural-smelling greenness that helps bridge floral and woody notes, creating more dynamic scent profiles.
Safety Profile
GENERALLY SAFEWhat Does 3-Methylbut-3-en-1-ol Smell Like?
3-Methylbut-3-en-1-ol opens with a burst of fresh-cut greenery reminiscent of crushed leaves and young shoots, with a subtle undercurrent of unripe banana peel. As it evolves, the scent reveals a delicate fruity aspect akin to green apples, before settling into a clean, slightly woody dry-down. The overall effect is like walking through a sunlit orchard after spring rain – vibrant yet transparent.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the hyper-realistic green galbanum accord, adding dimension to the crushed stems effect.
Contributes to the watery-green mango leaf illusion in this tropical garden composition.
2D Molecular Structure
SMILES: CC(=C)CCO
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Methylbut-3-en-1-ol is an unsaturated aliphatic alcohol with molecular formula C5H10O. It’s typically synthesized via hydroformylation of isoprene or through Grignard reactions. The molecule’s reactivity makes it useful for creating more complex fragrance molecules through subsequent chemical modifications. Its double bond and hydroxyl group contribute to both its volatility and water solubility.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Green modifier |
| Functional Fragrance | 0.1-1% | Up to 3% | Freshness booster |
Classic Accords
Tip: Use to add naturalistic green effects without overwhelming citrus or floral notes.
Alternatives & Comparisons
More intense grassy character, better for cut-grass effects but less fruity nuance.
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, 3-Methylbut-3-en-1-ol has minimal environmental impact in production compared to natural alternatives. Its efficient synthesis from petrochemical feedstocks makes it a sustainable choice for green notes, reducing pressure on plant-derived materials.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 763-32-6Physical Properties
| Molecular Weight | 86.13 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.3🔬 PubChem |
| Boiling Point | 130 °C🔬 EPA CompTox |
| Vapor Pressure | 20 mmHg @ 25°C📊 OPERA |
| Flash Point | 36 °C🔬 EPA CompTox |
| Involatility Index | 2.3226💻 Calculated |
| log Kp (skin permeability) | -2.302💻 Calculated |
| SMILES | CC(=C)CCO🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | freshfruitygreenherbalsweet• leffingwell |
| Functional Groups | alcoholalkene💻 RDKit |
Sensory Thresholds
| Odor Detection Threshold | 0.5471 ppm📖 van Gemert |
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
DTXSID: DTXSID4052506
Physical Properties
| Molecular Weight | 86.134 g/mol🔬 EPA CompTox |
| Density | 1.484 g/cm^3🔬 EPA CTX |
| Boiling Point | 131.006 °C🔬 EPA CTX |
| Melting Point | -68.208 °C📊 OPERA |
| Flash Point | 39.97 °C🔬 EPA CTX |
| Refractive Index | 1.422 Dimensionless📊 OPERA |
| Molar Volume | 103.47 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.89 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.938 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.938 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.25 Log10 unitless📊 OPERA |
| Water Solubility | 1.354 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 8.852 mmHg🔬 EPA CTX |
| Viscosity | 2.201 cP📊 OPERA |
| Surface Tension | 26.203 dyn/cm📊 OPERA |
| Thermal Conductivity | 148.006 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 26.316 cm^3/mol📊 OPERA |
| Polarizability | 10.433 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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