Isobutyl salicylate (CAS 87-19-4) — Green Top-middle Note Fragrance Ingredient
Isobutyl salicylate
CAS 87-19-4
What Is Isobutyl salicylate?
Isobutyl salicylate is a synthetic fragrance ingredient commonly found in perfumes, soaps, and body care products. It imparts a fresh, herbal-green scent reminiscent of birch leaves and wintergreen. This molecule matters because it adds crispness to fougère and chypre fragrances while being more stable than natural salicylate sources.
Safety Profile
GENERALLY SAFEWhat Does Isobutyl salicylate Smell Like?
Isobutyl salicylate bursts with a sharp, medicinal-green opening akin to crushed birch leaves or wintergreen ointment. The initial punch softens into a herbaceous heart with subtle floral undertones, like damp foliage after rain. Dry-down reveals a clean, woody-mossy base that lingers close to skin. Unlike methyl salicylate, it lacks overpowering wintergreen sweetness, making it versatile for modern fougères where you want green freshness without candy-like tones.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the fougère’s green-herbal character, pairing with lavender and oakmoss for a crisp barbershop effect.
Provides a modern green counterpoint to the vanilla-amber base, preventing excessive sweetness.
2D Molecular Structure
SMILES: CC(C)COC(=O)C1=CC=CC=C1O
Chemistry, Properties & Perfumer Guide
The Chemistry
Isobutyl salicylate is an ester formed by the condensation of salicylic acid with isobutanol. As a synthetic molecule, it’s typically produced via Fischer esterification using acid catalysis. Unlike natural salicylates from wintergreen or birch, it lacks chirality concerns. The isobutyl group increases volatility compared to benzyl salicylate while maintaining better stability than methyl salicylate.
Physical & Chemical Properties
| Boiling Point | 259 °C (estimated) |
|---|---|
| Density | 1.04 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Fougère/chypre modifier |
| Functional Fragrance | 0.5-1.5% | Up to 3% | Soap/shampoo freshnes |
Classic Accords
Tip: Use with ionones to soften the sharp green edge while maintaining diffusion.
Alternatives & Comparisons
For longer-lasting salicylate effects with floral sweetness, though less green character.
When stronger wintergreen notes are desired, but more volatile and restricted.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards (as of 49th Amendment).
GHS Classification
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
As a synthetic material, isobutyl salicylate avoids harvesting pressure on birch/wintergreen plants. Production typically uses petrochemical feedstocks, though green chemistry routes employing bio-based isobutanol are emerging.
Explore Isobutyl salicylate
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 3-527-30364-2
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID3047186
Physical Properties
| Molecular Weight | 194.23 g/mol🔬 EPA CompTox |
| Density | 1.065 g/cm^3🔬 EPA CTX |
| Boiling Point | 260.333 °C🔬 EPA CTX |
| Melting Point | -2.233 °C🔬 EPA CTX |
| Flash Point | 114.7 °C🔬 EPA CTX |
| Refractive Index | 1.524 Dimensionless📊 OPERA |
| Molar Volume | 175.653 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.045 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.54 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.422 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.4 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.045 mmHg🔬 EPA CTX |
| Viscosity | 16.338 cP📊 OPERA |
| Surface Tension | 38.89 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.226 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 46.53 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 53.765 cm^3/mol📊 OPERA |
| Polarizability | 21.314 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.
