Citronellyl butyrate (CAS 141-16-2) — Sweet Top to Middle Note Fragrance Ingredient
Citronellyl butyrate
CAS 141-16-2
What Is Citronellyl butyrate?
Citronellyl butyrate is a synthetic ester commonly used in perfumes and flavored products. It imparts a fruity, rosy aroma with a hint of citrus. You’ll encounter it in body sprays, candles, and some food flavorings. This ingredient matters because it’s a versatile, cost-effective alternative to natural rose and citrus oils, allowing for consistent quality in mass-market products while avoiding supply chain issues associated with botanical extracts.
Safety Profile
GENERALLY SAFEWhat Does Citronellyl butyrate Smell Like?
Citronellyl butyrate bursts with a bright, effervescent fruitiness reminiscent of pink grapefruit peel and ripe strawberries. The initial sharpness quickly mellows into a dewy rose petal heart, like walking through a morning garden after rain. Over hours, it settles into a soft, musky-sweet base resembling apricot skin dipped in honey. The dry-down maintains remarkable tenacity for a top note, leaving a clean, slightly powdery trail that blends seamlessly with woody accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the grapefruit-quince opening while providing a bridge to the floral heart. Its tenacity helps maintain fruity brightness longer than most citrus notes.
Contributes to the strawberry macaron accord, blending synthetic sweetness with natural rose for a gourmand-floral effect that doesn’t become cloying.
2D Molecular Structure
SMILES: CCCC(=O)OCCC(C)CCC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Citronellyl butyrate is an ester formed from citronellol and butyric acid. Industrially produced via acid-catalyzed esterification, it’s prized for its stability and purity compared to plant-derived alternatives. The molecule’s compact structure (C14H26O2) gives it moderate volatility and excellent diffusion properties. While not chiral, its sensory profile can vary slightly depending on the isomeric purity of the starting citronellol (typically a 70:30 mix of geraniol and nerol isomers).
Physical & Chemical Properties
| Molecular Weight | 226.36 g/mol |
|---|---|
| Boiling Point | 240-242 °C |
| Density | 0.885 g/cm³ |
| Refractive Index | 1.446 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds fruity lift to floral bouquets |
| Functional Fragrance | 0.5-2% | Up to 5% | Masking agent in cleaning products |
Classic Accords
Tip: Use with ionones to create dimensional fruity-floral effects without candied sweetness.
Alternatives & Comparisons
When a greener, more herbal character is desired. Less sweet with better citrus amplification.
For deeper rose effects with added woody complexity. Higher tenacity but less fruity brightness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA 49th Amendment. Classified as non-sensitizing in current RIFM assessments.
EU Allergen Declaration
Not listed in EU allergen regulation (EC) No 1223/2009 Annex III.
RIFM Assessment
RIFM FEMA GRAS status (FEMA #2312). Considered safe at current industry usage levels.
Sustainability
As a synthetic material, citronellyl butyrate avoids agricultural land use and seasonal variability. Production from petrochemical precursors raises carbon footprint concerns, but new bio-based routes using fermented butyric acid are emerging. Biodegradation studies show 80% breakdown in 28 days (OECD 301B).
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
- PubChem Compound Summary for CID 5365206 PubChem 5365206
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5047405
Physical Properties
| Molecular Weight | 226.36 g/mol🔬 EPA CompTox |
| Density | 0.88 g/cm^3🔬 EPA CTX |
| Boiling Point | 256.65 °C🔬 EPA CTX |
| Melting Point | -38.994 °C📊 OPERA |
| Flash Point | 128 °C🔬 EPA CTX |
| Refractive Index | 1.446 Dimensionless📊 OPERA |
| Molar Volume | 256.905 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 6.2 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.886 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.886 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.88 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.064 mmHg🔬 EPA CTX |
| Viscosity | 2.769 cP📊 OPERA |
| Surface Tension | 27.535 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.206 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 | 0 count💻 Computed |
| Molar Refractivity | 68.543 cm^3/mol📊 OPERA |
| Polarizability | 27.173 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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