Citronellyl Acetate (CAS 150-84-5) — Floral Heart Note Fragrance Ingredient
Citronellyl Acetate
CAS 150-84-5
What Is Citronellyl Acetate?
Citronellyl acetate is a floral-fruity ester found in many essential oils like geranium and citronella. It’s commonly used in perfumes, soaps, and candles for its fresh, rosy scent. This ingredient matters because it provides a cost-effective alternative to natural rose oils while offering excellent stability in formulations.
Safety Profile
GENERALLY SAFE
What Does Citronellyl Acetate Smell Like?
Citronellyl acetate opens with a bright, fruity burst reminiscent of fresh peaches and raspberries. The heart reveals a lush rose garden with dewy green undertones. As it dries down, it leaves a soft, musky trail with whispers of citrus peel. The evolution is like biting into a ripe fruit that slowly transforms into a bouquet of roses.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the floral bouquet, adding a fruity-rosy dimension that complements the jasmine and ylang-ylang.
Provides a fresh, modern twist to the classic chypre structure with its bright fruity-floral character.
2D Molecular Structure
SMILES: CC(CCOC(C)=O)CCC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Citronellyl acetate is an ester formed from citronellol and acetic acid. It occurs naturally in geranium and citronella oils but is often synthesized for commercial use. The compound is chiral, with the (R)-enantiomer being more common in nature. Key synthesis routes include direct esterification of citronellol or transesterification of geranyl acetate.
Physical & Chemical Properties
| Boiling Point | 229-230 °C |
|---|---|
| Density | 0.895 g/cm³ |
| Refractive Index | 1.440-1.450 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 5-10% | Up to 20% | Adds fruity-floral depth |
| Soap | 1-3% | Up to 5% | Stable in alkaline conditions |
Classic Accords
+ Bergamot + Patchouli = Modern Chypre
Tip: Use to brighten floral compositions or add fruity complexity to citrus fragrances.
Alternatives & Comparisons
When a more honeyed, rosy character is desired without the fruity top notes.
For a deeper, more woody rose character with less fruity brightness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No restrictions under IFRA standards.
RIFM Assessment
RIFM considers citronellyl acetate safe for current use levels in fragrances.
Sustainability
Citronellyl acetate can be sourced naturally from geranium oil or synthesized from petrochemical precursors. The synthetic route is more sustainable due to higher yields and lower land use compared to natural extraction. Biocatalytic production methods are being developed to further reduce environmental impact.
Explore Citronellyl Acetate
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Industry & Science Data
References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 978-3-527-30627-9
- PubChem Compound Summary for Citronellyl Acetate CID 7794
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Ingredient Data Sheet
CAS 150-84-5Physical Properties
| Molecular Weight | 198.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.8🔬 PubChem |
| Boiling Point | 229 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0148 mmHg @ 25°C📊 OPERA |
| Flash Point | 107 °C🔬 EPA CompTox |
| Involatility Index | 0.0011💻 Calculated |
| log Kp (skin permeability) | -1.212💻 Calculated |
| SMILES | CC(CCC=C(C)C)CCOC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | freshfruityrose• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| “Fresh-rosy-fruity odor, somewhat reminiscent of Geranium.”📖 Arctander | |
| Citronellyl acetate has a fresh, fruity odor reminiscent of rose and a pungent taste at the beginning, turning to sweet, apricot-like taste afterward.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Fruity-rosy taste, but not sweet enough to be truly pleasant. Frequently used in flavor compositions for”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.1293 ppm📖 van Gemert |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
| FEMA Number | FEMA 2311⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| 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: DTXSID5051739
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.891 g/cm^3🔬 EPA CTX |
| Boiling Point | 231.7 °C🔬 EPA CTX |
| Melting Point | -42.964 °C📊 OPERA |
| Flash Point | 94.263 °C🔬 EPA CTX |
| Refractive Index | 1.442 Dimensionless📊 OPERA |
| Molar Volume | 223.891 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.56 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.158 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.158 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.73 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.04 mmHg🔬 EPA CTX |
| Viscosity | 1.846 cP📊 OPERA |
| Surface Tension | 27.129 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.913 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 | 59.277 cm^3/mol📊 OPERA |
| Polarizability | 23.499 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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