2-Phenoxyethyl isobutyrate (CAS 103-60-6) — Sweet Middle Note Fragrance Ingredient
2-Phenoxyethyl isobutyrate
CAS 103-60-6
What Is 2-Phenoxyethyl isobutyrate?
2-Phenoxyethyl isobutyrate is a synthetic fragrance ingredient used to add a soft, floral-fruity character to perfumes and scented products. You’ll encounter it in body lotions, soaps, and air fresheners where a delicate sweetness is desired. This versatile material matters because it helps bridge floral and fruity accords, creating smooth transitions in complex fragrances without overpowering other notes.
Safety Profile
GENERALLY SAFEWhat Does 2-Phenoxyethyl isobutyrate Smell Like?
2-Phenoxyethyl isobutyrate presents a delicate dance between floral sophistication and fruity innocence. The initial impression is like biting into a perfectly ripe pear that’s been dusted with rose petals – juicy yet refined. As it evolves, the scent softens into a whisper of magnolia blossoms floating over a base of clean musk. The dry-down reveals surprising tenacity for such an airy material, leaving behind a subtle, skin-like sweetness reminiscent of baby products.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the quince-jasmine accord, adding a dewy freshness that makes the floral heart sparkle.
Provides the soft fruity lift under the violet leaves, creating the scent’s signature ‘sunshine in a bottle’ effect.
2D Molecular Structure
SMILES: CC(C)C(=O)OCCOC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Phenoxyethyl isobutyrate is an ester formed by the reaction of phenoxyethanol with isobutyric acid. This synthetic compound doesn’t occur naturally but mimics certain aspects of floral esters found in nature. Industrial synthesis typically involves acid-catalyzed esterification under controlled conditions. The molecule’s stability comes from its aromatic phenoxy group combined with the branched isobutyrate moiety, making it resistant to hydrolysis in most cosmetic formulations.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Approx. 250-260°C (estimated) |
| Density | ~1.05 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used for floral-fruity lift in heart notes |
| Personal Care | 0.5-1.5% | Up to 3% | Adds subtle sweetness to body products |
Classic Accords
Tip: Use with ionones to create seamless floral bouquets that don’t turn powdery.
Alternatives & Comparisons
More rosy with less fruity character, better for traditional floral compositions when a greener profile is desired.
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 applications based on RIFM evaluation.
Sustainability
As a synthetic material, 2-phenoxyethyl isobutyrate doesn’t require agricultural land or compete with food crops. Its production from petrochemical feedstocks does carry carbon footprint considerations, but advances in green chemistry are improving synthesis efficiency. The material’s stability reduces formulation waste by extending product shelf life.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 103-60-6Physical Properties
| Molecular Weight | 208.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.8🔬 PubChem |
| Boiling Point | 125 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0058 mmHg @ 25°C📊 OPERA |
| Flash Point | 137.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0004💻 Calculated |
| log Kp (skin permeability) | -1.982💻 Calculated |
| SMILES | CC(C)C(=O)OCCOC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfruityhoney• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| 2-Phenoxyethyl isobutyrate has a faint, rose-like and honey odor and a sweet, fruity (peach-like) taste.📖 Fenaroli | |
Trade Names
| Phenirat®(Symrise).📖 Surburg |
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: DTXSID7042279
Physical Properties
| Molecular Weight | 208.257 g/mol🔬 EPA CompTox |
| Density | 1.049 g/cm^3🔬 EPA CTX |
| Boiling Point | 275.3 °C🔬 EPA CTX |
| Melting Point | 51.089 °C📊 OPERA |
| Flash Point | 137.084 °C🔬 EPA CTX |
| Refractive Index | 1.491 Dimensionless📊 OPERA |
| Molar Volume | 199.828 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.2 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.84 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.84 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.56 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.006 mmHg🔬 EPA CTX |
| Viscosity | 6.044 cP📊 OPERA |
| Surface Tension | 34.577 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.431 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 35.53 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 57.829 cm^3/mol📊 OPERA |
| Polarizability | 22.925 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.
