Geranyl isovalerate (CAS 109-20-6) — Sweet Top to Middle Note Fragrance Ingredient
Geranyl isovalerate
CAS 109-20-6
What Is Geranyl isovalerate?
Geranyl isovalerate is a synthetic ester commonly used in perfumery for its fruity, floral aroma. It’s found in many consumer products like soaps, detergents, and fine fragrances. This ingredient matters because it adds a natural, apple-like sweetness to compositions, helping create balanced, appealing scents that last.
Safety Profile
GENERALLY SAFEWhat Does Geranyl isovalerate Smell Like?
Geranyl isovalerate opens with a burst of ripe apple and pear, layered with a subtle floral undertone reminiscent of rose petals. As it evolves, the heart reveals a creamy, almost banana-like sweetness, while the dry-down settles into a soft, woody-musky base. The overall effect is like biting into a perfectly ripe fruit with a hint of gardenia in the background.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the floral bouquet with its fruity sweetness, adding depth to the iconic aldehydic top notes.
Contributes to the lush, fruity-floral heart that makes this fragrance so opulent and timeless.
2D Molecular Structure
SMILES: CC(C)CC(=O)OC\C=C(/C)CCC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Geranyl isovalerate is an ester formed from geraniol and isovaleric acid. It belongs to the terpene ester class, commonly synthesized via acid-catalyzed esterification. The molecule features a geranyl backbone with an isovalerate ester group, contributing to its fruity character. Its synthesis typically involves reacting geraniol with isovaleric acid in the presence of an acid catalyst like sulfuric acid.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds fruity sweetness |
| Soaps/Detergents | 0.5-2% | Up to 5% | Provides fresh, clean scent |
Classic Accords
Tip: Use in fruity-floral compositions to enhance sweetness without overpowering delicate notes.
Alternatives & Comparisons
Offers a similar fruity character but with more pronounced floral notes, ideal for lighter compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
RIFM Assessment
RIFM assessment confirms safety at current usage levels.
Sustainability
Synthetic production ensures consistent quality and reduces pressure on natural resources. The process is energy-efficient but relies on petrochemical feedstocks.
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References
- PubChem Compound Summary for Geranyl isovalerate PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 109-20-6Physical Properties
| Molecular Weight | 238.37 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.7🔬 PubChem |
| Boiling Point | 273 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0135 mmHg @ 25°C📊 OPERA |
| Flash Point | 97.5 °C🔬 EPA CompTox |
| Involatility Index | 0.0009💻 Calculated |
| log Kp (skin permeability) | -0.817💻 Calculated |
| SMILES | CC(C)CC(=O)OCC=C(C)CCC=C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruitypeach• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| Geranyl isovalerate has a rose odor with an apple-pineapple undertone and sweet apple taste.📖 Fenaroli | |
Regulatory Status
| IOFI Classification | Nature Identical📖 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
DTXSID: DTXSID10883184
Physical Properties
| Molecular Weight | 238.371 g/mol🔬 EPA CompTox |
| Density | 0.889 g/cm^3🔬 EPA CTX |
| Boiling Point | 283.107 °C📊 OPERA |
| Melting Point | -22.774 °C📊 OPERA |
| Flash Point | 98.623 °C📊 OPERA |
| Refractive Index | 1.46 Dimensionless📊 OPERA |
| Molar Volume | 266.827 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.986 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.986 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.986 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.55 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.006 mmHg📊 OPERA |
| Viscosity | 3.994 cP📊 OPERA |
| Surface Tension | 27.42 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.378 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 73.076 cm^3/mol📊 OPERA |
| Polarizability | 28.97 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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