3-Methyl-2-buten-1-ol (CAS 556-82-1) — Green Top to Middle Note Fragrance Ingredient
3-Methyl-2-buten-1-ol
CAS 556-82-1
What Is 3-Methyl-2-buten-1-ol?
3-Methyl-2-buten-1-ol is a synthetic fragrance ingredient with a fresh, green, slightly floral aroma. It’s often used in perfumes, soaps, and household products to add a natural, leafy character. This molecule matters because it can mimic aspects of plant-derived scents while offering consistency and stability that natural extracts sometimes lack.
Safety Profile
USE WITH AWARENESSWhat Does 3-Methyl-2-buten-1-ol Smell Like?
3-Methyl-2-buten-1-ol presents a crisp, green opening reminiscent of crushed leaves and fresh-cut stems. The initial burst evolves into a softer floral nuance, like the faint sweetness of lily-of-the-valley emerging after rain. As it dries down, it maintains a clean, vegetal character with a subtle woody undertone, never becoming harsh or overly sharp. Its moderate tenacity makes it useful for creating naturalistic green accords that don’t overwhelm a composition.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the hyper-realistic green leaf effect in this groundbreaking fragrance, contributing to its famous ‘crushed stems’ freshness.
Provides the tomato leaf facet in this garden-inspired composition, blending with herbal notes for a sun-warmed vegetable garden effect.
2D Molecular Structure
SMILES: CC(C)=CCO
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Methyl-2-buten-1-ol is an unsaturated aliphatic alcohol, specifically a prenol derivative. It’s typically synthesized through hydroformylation of isoprene or by reduction of prenal. The molecule’s reactivity comes from both the hydroxyl group and the conjugated double bond system, making it useful for creating more complex fragrance molecules through subsequent reactions.
Physical & Chemical Properties
| Boiling Point | 140-142 °C |
|---|---|
| Density | 0.85 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Green note modifier |
| Functional Fragrances | 0.1-1% | Up to 3% | Freshness booster |
Classic Accords
Tip: Use with citrus top notes to prevent the green character from becoming too vegetal.
Alternatives & Comparisons
For a more intense, freshly-cut grass effect, though with higher volatility and less floral character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material.
RIFM Assessment
Under review by RIFM – currently considered safe at reported usage levels.
Sustainability
As a synthetic material, 3-Methyl-2-buten-1-ol offers consistent quality without agricultural variability. Production typically uses petrochemical feedstocks, though bio-based routes from renewable resources are being explored to improve sustainability. Its efficient synthesis and low usage levels make it environmentally favorable compared to some natural alternatives.
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References
- Bauer 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 556-82-1Physical Properties
| Molecular Weight | 86.13 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1🔬 PubChem |
| Boiling Point | 138 °C🔬 EPA CompTox |
| Vapor Pressure | 1.05 mmHg @ 25°C📊 OPERA |
| Flash Point | 50 °C🔬 EPA CompTox |
| Involatility Index | 0.1219💻 Calculated |
| log Kp (skin permeability) | -2.515💻 Calculated |
| SMILES | CC(=CCO)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruitygreen• leffingwell |
| Functional Groups | alcoholalkene💻 RDKit |
| “It is nevertheless interesting, and its odor is quite characteristic and lively, inviting to further experimenting.”📖 Arctander | |
| 3-Methyl-2-buten-1-ol has a phenolic, metallic odor bearing a resemblance to iron gallate ink. -📖 Fenaroli | |
Flavor Notes (Arctander)
| “The taste is - in high dilution - winy, Brandy-like, slightly green-fruit. The title alcohol is occasionally used as a trace component in imitation Raspberry flavor.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.6473 ppm (n=3)📖 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: DTXSID2027206
Physical Properties
| Molecular Weight | 86.134 g/mol🔬 EPA CompTox |
| Density | 0.851 g/cm^3🔬 EPA CTX |
| Boiling Point | 140.38 °C🔬 EPA CTX |
| Melting Point | -59.3 °C🔬 EPA CTX |
| Flash Point | 46.8 °C🔬 EPA CTX |
| Refractive Index | 1.436 Dimensionless📊 OPERA |
| Molar Volume | 101.991 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.91 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.922 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.922 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.19 Log10 unitless📊 OPERA |
| Water Solubility | 1.153 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.483 mmHg🔬 EPA CTX |
| Viscosity | 2.704 cP📊 OPERA |
| Surface Tension | 26.18 dyn/cm📊 OPERA |
| Thermal Conductivity | 148.156 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 26.649 cm^3/mol📊 OPERA |
| Polarizability | 10.564 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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