Geranyl isobutyrate (CAS 2345-26-8) — Floral Top to middle Note Fragrance Ingredient
Geranyl isobutyrate
CAS 2345-26-8
What Is Geranyl isobutyrate?
Geranyl isobutyrate is a synthetic fragrance ingredient commonly found in perfumes, soaps, and flavored products. It contributes a fruity, floral aroma reminiscent of roses and apples. This ester is valued by perfumers for its ability to add brightness and lift to fragrance compositions while blending seamlessly with other notes.
Safety Profile
GENERALLY SAFEWhat Does Geranyl isobutyrate Smell Like?
Geranyl isobutyrate bursts with a vibrant fruity-floral character, like biting into a perfectly ripe pear with hints of rose petals. The top note sparkles with citrusy freshness that evolves into a heart of juicy apple and tropical fruit nuances. As it dries down, it reveals a soft, sweet woody undertone that adds depth without heaviness. The overall effect is like a sunlit orchard in spring – bright, cheerful, and slightly intoxicating.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fruity-floral bridge between the citrus top notes and jasmine heart, adding a luminous quality that makes the fragrance sparkle.
Contributes to the fresh, fruity opening that contrasts beautifully with the woody amber base, creating the signature Mediterranean vibe.
2D Molecular Structure
SMILES: CC(C)C(=O)OC\C=C(/C)CCC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Geranyl isobutyrate is an ester formed by the condensation of geraniol and isobutyric acid. As a synthetic compound, it’s typically produced via acid-catalyzed esterification. The molecule features a monoterpene skeleton with an ester functional group, giving it both volatility for top-note performance and sufficient stability for fragrance longevity. Its molecular structure allows for excellent diffusion while maintaining a clean, non-greasy olfactory profile.
Physical & Chemical Properties
| Boiling Point | ~250°C (estimated) |
|---|---|
| Density | ~0.89 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds fruity freshness |
| Soap | 0.5-2% | Up to 3% | Stable in alkaline formulations |
Classic Accords
Tip: Use to brighten floral compositions or add fruity dimension to woody accords without overpowering.
Alternatives & Comparisons
For a more citrusy, less sweet fruity note with better stability in acidic conditions.
When a slightly heavier, more floral character is desired with similar diffusion properties.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to geranyl isobutyrate (as of Amendment 49).
RIFM Assessment
Considered safe for use in fragrance based on RIFM’s assessment of structurally similar compounds.
Sustainability
As a synthetic material, geranyl isobutyrate offers consistent quality without natural resource depletion. Production typically uses petrochemical feedstocks, though bio-based routes from renewable geraniol are being developed. Its efficient synthesis and stability contribute to reduced waste in manufacturing.
Explore Geranyl isobutyrate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
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 2345-26-8Physical Properties
| Molecular Weight | 224.34 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.5🔬 PubChem |
| Boiling Point | 253 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0513 mmHg @ 25°C📊 OPERA |
| Flash Point | 96.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0037💻 Calculated |
| log Kp (skin permeability) | -0.873💻 Calculated |
| SMILES | CC(C)C(=O)OCC=C(C)CCC=C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruityrosesweet• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| Geranyl isobutyrate has a light rose odor and sweet, apricot-like taste.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.013 ppm📖 van Gemert |
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: DTXSID8051889
Physical Properties
| Molecular Weight | 224.344 g/mol🔬 EPA CompTox |
| Density | 0.889 g/cm^3🔬 EPA CTX |
| Boiling Point | 267.514 °C📊 OPERA |
| Melting Point | -34.447 °C📊 OPERA |
| Flash Point | 96.1 °C🔬 EPA CTX |
| Refractive Index | 1.459 Dimensionless📊 OPERA |
| Molar Volume | 250.321 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.623 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.623 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.623 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.91 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.019 mmHg📊 OPERA |
| Viscosity | 2.987 cP📊 OPERA |
| Surface Tension | 27.346 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.393 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 | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 68.444 cm^3/mol📊 OPERA |
| Polarizability | 27.133 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.
![5(Or 6)-Methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde (CAS 68259-31-4) — Woody Middle Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/5-1-768x439.webp)
![.alpha.,.alpha.,6,6-Tetramethylbicyclo[3.1.1]hept-2-ene-2-propionaldehyde (CAS 33885-52-8) — Woody Middle to base Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/alpha-alpha-6-6-tetramethylbicyclo-3-1-1-hept-2-ene-2-propi-1-768x439.webp)
![3-Hexene, 1-[(2-methyl-2-propenyl)oxy]- (3Z)- (CAS 292605-05-1) — Green Top to Middle Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/3-hexene-1-1-3-768x439.webp)