2-Methylpentyl salicylate (CAS 98969-19-8) — Green Middle Note Fragrance Ingredient
2-Methylpentyl salicylate
CAS 98969-19-8
What Is 2-Methylpentyl salicylate?
2-Methylpentyl salicylate is a synthetic fragrance ingredient used in perfumes and personal care products. It adds a fresh, herbal character with subtle floral undertones. You’ll encounter it in body washes, shampoos, and fine fragrances where a clean, outdoorsy scent is desired. This molecule matters because it provides a modern twist on classic salicylate notes, offering perfumers a versatile building block for fresh fougère and floral-green accords without the volatility of some natural alternatives.
Safety Profile
GENERALLY SAFEWhat Does 2-Methylpentyl salicylate Smell Like?
2-Methylpentyl salicylate opens with a crisp, green-leaf freshness reminiscent of crushed mint stems, quickly revealing a smooth salicylate core that’s less medicinal than methyl salicylate. The heart develops into a meadow-like floralcy with hints of chamomile tea and distant lily-of-the-valley. Dry-down brings a subtle woody-musky undertone that lingers close to skin. Unlike sharper salicylates, this variant maintains a rounded, almost creamy texture throughout its evolution, making it particularly useful for softening harsh green notes in modern compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the violet leaf note while preventing excessive sharpness, contributing to the fragrance’s signature polished green character.
Provides subtle herbal support to the citrus-rosemary opening while bridging to the woody base notes.
2D Molecular Structure
SMILES: CCCC(C)COC(=O)C1=CC=CC=C1O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Methylpentyl salicylate belongs to the ester class, specifically a salicylate ester derived from salicylic acid and 2-methylpentanol. While not found in nature, it’s structurally related to naturally occurring salicylates found in wintergreen and birch. Synthesized via Fischer esterification, this branched-chain variant offers greater stability than linear salicylate esters. The methyl branch at the second carbon position influences both volatility and odor profile, reducing the typical medicinal character associated with simpler salicylates while enhancing green-floral aspects.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~250 °C (estimated) |
| Density | ~1.05 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | 0.5-5% | Green-floral modifier |
| Functional Products | 0.2-1% | Up to 2% | Freshness booster |
Classic Accords
Tip: Use to soften harsh green notes while maintaining freshness in masculine compositions.
Alternatives & Comparisons
More floral and less green, better for solar/summer compositions where a softer effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions (as of Amendment 49).
GHS Classification
RIFM Assessment
RIFM assessment complete – no significant safety concerns at typical use levels.
Sustainability
As a synthetic material, 2-methylpentyl salicylate avoids agricultural sourcing pressures. Production typically uses petrochemical feedstocks, though green chemistry approaches are being explored to reduce environmental impact. Its stability contributes to longer-lasting fragrances, potentially reducing reapplication frequency.
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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 errorPhysicochemical Properties
DTXSID: DTXSID701377784
Physical Properties
| Molecular Weight | 222.284 g/mol🔬 EPA CompTox |
| Density | 1.07 g/cm^3📊 OPERA |
| Boiling Point | 289.897 °C📊 OPERA |
| Melting Point | 39.548 °C📊 OPERA |
| Flash Point | 122.874 °C📊 OPERA |
| Refractive Index | 1.516 Dimensionless📊 OPERA |
| Molar Volume | 208.666 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.907 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.906 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.86 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.25 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 22.537 cP📊 OPERA |
| Surface Tension | 38.288 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.894 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 | 5 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 63.031 cm^3/mol📊 OPERA |
| Polarizability | 24.987 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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