Benzyl isovalerate (CAS 103-38-8) — Sweet Heart Note Fragrance Ingredient
Benzyl isovalerate
CAS 103-38-8
What Is Benzyl isovalerate?
Benzyl isovalerate is a synthetic fragrance compound often found in perfumes and flavored products. It imparts a fruity, slightly floral aroma reminiscent of apples and berries. This ingredient matters because it adds a sweet, juicy character to fragrances while helping mask harsher chemical notes in consumer products.
Safety Profile
GENERALLY SAFEWhat Does Benzyl isovalerate Smell Like?
Benzyl isovalerate bursts with an initial impression of overripe apples drizzled with honey, quickly revealing a jammy berry heart that’s both luscious and slightly tropical. As it dries down, the sweetness mellows into a soft, powdery fruitiness with whispers of banana and pear. The overall effect is like walking through an orchard at harvest time – juicy, sun-warmed fruits mingling with delicate floral undertones. Though sweet, it maintains enough freshness to prevent cloying, making it versatile for both feminine and unisex compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fruity modifier to soften the aldehydic bouquet, adding subtle jammy depth to the famous floral heart.
Provides a candied fruit counterpoint to the tuberose, enhancing the fragrance’s gourmand floral character.
Contributes to the juicy pear opening, bridging the citrus top notes and sweet vanilla base.
Adds a plush, fruity dimension to the explosive floral bouquet, enhancing the candy-like sweetness.
Used sparingly to lend a fruity nuance to the coffee accord, preventing the gourmand elements from becoming too heavy.
2D Molecular Structure
SMILES: CC(C)CC(=O)OCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Benzyl isovalerate is an ester formed by the condensation of benzyl alcohol and isovaleric acid. This clear, colorless liquid belongs to the class of benzyl esters, known for their fruity-floral odor profiles. Industrially, it’s synthesized via acid-catalyzed esterification, typically using sulfuric acid as a catalyst. The molecular structure combines the aromatic benzyl group with the branched aliphatic chain of isovalerate, creating a compound that’s moderately polar yet sufficiently hydrophobic for fragrance applications. Its stability in ethanol and common cosmetic bases makes it a versatile ingredient.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Boiling Point | 245 °C |
| Density | 0.984 g/cm³ |
| Refractive Index | 1.486 |
| Solubility | Soluble in alcohol, oils; insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Fruity modifier |
| Soaps | 0.5-1% | Up to 2% | Adds fruity character |
| Candles | 2-4% | Up to 6% | Sweet fruity note |
| Food Flavors | 10-50 ppm | Up to 100 ppm | Apple/berry flavor |
Classic Accords
Tip: Use with citrus top notes to enhance fruity characteristics without overpowering delicate florals.
Alternatives & Comparisons
For a lighter, more floral-fruity character with jasmine nuances instead of berry notes.
When a brighter, more banana-like fruitiness is desired in the top notes.
For a fresher, more apple-like fruity note with less floral character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Listed as safe for use in all fragrance categories.
EU Allergen Declaration
Not listed as an EU allergen.
GHS Classification
RIFM Assessment
RIFM assessment confirms safe use at current industry levels with no significant sensitization risk.
Sustainability
As a synthetic material, benzyl isovalerate has consistent quality and doesn’t depend on agricultural production. The manufacturing process is energy-efficient with good atom economy. Being petroleum-derived, its sustainability depends on the fragrance house’s commitment to green chemistry principles and responsible sourcing of raw materials.
Explore Benzyl isovalerate
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090772
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing. ISBN 9780931711015
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID1047603
Physical Properties
| Molecular Weight | 192.258 g/mol🔬 EPA CompTox |
| Density | 1.001 g/cm^3🔬 EPA CTX |
| Boiling Point | 245.333 °C🔬 EPA CTX |
| Melting Point | 4.693 °C📊 OPERA |
| Flash Point | 101.888 °C🔬 EPA CTX |
| Refractive Index | 1.495 Dimensionless📊 OPERA |
| Molar Volume | 192.137 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.26 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.27 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.27 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.83 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.028 mmHg📊 OPERA |
| Viscosity | 3.805 cP📊 OPERA |
| Surface Tension | 34.153 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.507 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 | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 56.067 cm^3/mol📊 OPERA |
| Polarizability | 22.227 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.
