Citronellyl phenylacetate (CAS 139-70-8) — Floral Middle Note Fragrance Ingredient
Citronellyl phenylacetate
CAS 139-70-8
What Is Citronellyl phenylacetate?
Citronellyl phenylacetate is a synthetic fragrance ingredient commonly found in perfumes, soaps, and household products. It contributes a rosy, honey-like sweetness with subtle citrus undertones. This versatile molecule helps create long-lasting floral bouquets while adding diffusion and warmth to fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does Citronellyl phenylacetate Smell Like?
Citronellyl phenylacetate unfolds like a sun-warmed rose garden dipped in honey. The opening carries a bright citrus-floral sparkle reminiscent of bergamot-drizzled orange blossoms. As it settles, the heart reveals dense petals soaked in liquid amber with a whisper of vanilla-like sweetness. The dry-down lingers as a soft, powdery musk with surprising tenacity – like rose petals pressed between the pages of an old book. This molecule bridges floral and oriental accords with its unique balance of freshness and warmth.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a supporting actor to enhance the rose-jasmine bouquet, adding honeyed depth that prevents the aldehydes from becoming too sharp.
Provides the rosy foundation that makes the chypre accord more approachable, blending seamlessly with oakmoss and patchouli.
2D Molecular Structure
SMILES: CC(CCOC(=O)CC1=CC=CC=C1)CCC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Citronellyl phenylacetate is an ester formed by the condensation of citronellol and phenylacetic acid. While theoretically obtainable from natural sources, commercial production typically involves esterification of synthetic precursors under acid catalysis. The molecule lacks chiral centers but exhibits conformational flexibility that contributes to its multi-faceted odor profile. Its phenylacetate moiety provides exceptional substantivity on skin.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~300 °C (estimated) |
| Density | ~0.95 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 8% | Floral-oriental bases |
| Soap | 0.5-2% | Up to 3% | Adds persistence |
Classic Accords
Tip: Use to ‘glue’ bright top notes to heavier base materials in floral compositions.
Alternatives & Comparisons
For more honeyed character without citrus aspects. Higher tenacity but less floral freshness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA Standards (49th Amendment).
RIFM Assessment
Evaluated as safe for current use levels by RIFM (2015).
Sustainability
Synthetic production avoids agricultural land use. Manufacturing typically employs green chemistry principles with high atom economy. Biodegradation studies show moderate environmental persistence.
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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 errorIngredient Data Sheet
CAS 139-70-8Physical Properties
| Molecular Weight | 274.4 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5.4🔬 PubChem |
| Boiling Point | 342 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.54💻 Calculated |
| SMILES | CC(CCC=C(C)C)CCOC(=O)CC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
Odor & Flavor
| Primary Descriptors | honeyrosesweetwaxy• leffingwell |
| Functional Groups | esteretheralkenearomatic💻 RDKit |
| “fragrances, particularly in Neroli-Orange- blossom, but also in non-florals, Oriental fragrance types, etc. It blends beautifully with Patchouli and Geranium, and it is extremely stable in soap and powders. However, the chemical purity and the odor quality of the material must be impeccable in the first place, or else the ester may break down just enough to produce unpleasant notes.”📖 Arctander | |
| Citronellyl phenylacetate has a sweet, faintly honey, rose-like odor with a definite waxy undertone.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Used in flavor compositions for a variety of Honey, Rose, etc. and in Tobacco flavoring.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2315⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Artificial📖 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: DTXSID90861804
Physical Properties
| Molecular Weight | 274.404 g/mol🔬 EPA CompTox |
| Density | 0.961 g/cm^3📊 OPERA |
| Boiling Point | 342 °C🔬 EPA CTX |
| Melting Point | 17.719 °C📊 OPERA |
| Flash Point | 132.386 °C📊 OPERA |
| Refractive Index | 1.5 Dimensionless📊 OPERA |
| Molar Volume | 284.593 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.455 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.455 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.455 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.95 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 | 9.61 cP📊 OPERA |
| Surface Tension | 33.229 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.467 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 | 8 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 83.765 cm^3/mol📊 OPERA |
| Polarizability | 33.207 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.
