2-Phenylethyl pivalate (CAS 67662-96-8) — Floral Heart Note Fragrance Ingredient
2-Phenylethyl pivalate
CAS 67662-96-8
What Is 2-Phenylethyl pivalate?
2-Phenylethyl pivalate is a synthetic fragrance ingredient used to add rosy, honey-like sweetness to perfumes and personal care products. You’ll encounter it in floral bouquets and some fruity cosmetic formulations. This ester provides stability and longevity to fragrances. It’s valued for its ability to subtly enhance floral notes without overpowering a composition, making it a versatile tool for perfumers creating everything from fine fragrances to scented lotions.
Safety Profile
GENERALLY SAFEWhat Does 2-Phenylethyl pivalate Smell Like?
2-Phenylethyl pivalate opens with a delicate rosy sweetness reminiscent of honeyed rose petals, gradually revealing a subtle green undertone that prevents it from becoming cloying. The dry-down is remarkably stable, maintaining its floral character while developing a clean, almost soapy quality. Unlike simpler phenylethyl esters, the pivalate moiety lends an intriguing mineral-like crispness that cuts through heavier base notes. It behaves like a floral chameleon – in small doses it can amplify rose absolutes, while at higher concentrations it contributes to honeyed amber accords with surprising tenacity.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a modern rosy bridge between the aldehydic top and ylang-ylang heart, providing diffusion and sweetness without vintage powderiness.
Employed to amplify the rose accord while maintaining freshness, creating a contemporary interpretation of rose without heavy jammy aspects.
2D Molecular Structure
SMILES: CC(C)(C)C(=O)OCCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Phenylethyl pivalate is an ester formed from phenethyl alcohol and pivalic acid. The sterically hindered pivalate group confers unusual stability against hydrolysis compared to other phenethyl esters. Synthetically produced via acid-catalyzed esterification, this molecule showcases how minor structural modifications (the bulky tert-butyl group) can significantly alter both physical properties and olfactory characteristics while maintaining the core phenethyl aromaticity.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Solubility | Soluble in alcohol, oils; insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral modifier |
| Soap/Cosmetic | 0.5-1.5% | Up to 3% | Stable floral note |
Classic Accords
Tip: Use to ‘lift’ heavy floral bases by adding 0.1-0.5% to rose or jasmine accords for improved diffusion.
Alternatives & Comparisons
For brighter, more volatile rosy top notes where less stability is needed. More pronounced green facets.
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
Considered safe for current fragrance use levels based on RIFM evaluation.
Sustainability
As a synthetic material, 2-phenylethyl pivalate avoids agricultural impacts but relies on petrochemical feedstocks. Its longevity in formulations can reduce reapplication frequency compared to more volatile naturals. The esterification process typically has good atom economy, generating minimal waste.
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References
- Brenna et al. (2003). Stereochemistry and olfaction. Tetrahedron: Asymmetry. DOI:10.1016/S0957-4166(03)00374-6
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID8070542
Physical Properties
| Molecular Weight | 206.285 g/mol🔬 EPA CompTox |
| Density | 0.969 g/cm^3🔬 EPA CTX |
| Boiling Point | 263.951 °C📊 OPERA |
| Melting Point | 28.671 °C📊 OPERA |
| Flash Point | 107.148 °C📊 OPERA |
| Refractive Index | 1.495 Dimensionless📊 OPERA |
| Molar Volume | 208.315 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.86 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.536 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.536 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.36 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.01 mmHg🔬 EPA CTX |
| Viscosity | 5.559 cP📊 OPERA |
| Surface Tension | 34.171 dyn/cm📊 OPERA |
| Thermal Conductivity | 131.597 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 | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 60.707 cm^3/mol📊 OPERA |
| Polarizability | 24.066 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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