Linalyl isovalerate (CAS 1118-27-0) — Sweet Top to middle Note Fragrance Ingredient
Linalyl isovalerate
CAS 1118-27-0
What Is Linalyl isovalerate?
Linalyl isovalerate is a synthetic fragrance compound that mimics the fruity, herbal notes found in some essential oils. You’ll encounter it in body care products, candles, and some citrus-forward perfumes. This ingredient matters because it adds a bright, slightly sweet dimension to fragrances while being more stable than some natural alternatives. It helps create the illusion of fresh-picked herbs without the volatility of real plant extracts.
Safety Profile
GENERALLY SAFEWhat Does Linalyl isovalerate Smell Like?
Linalyl isovalerate bursts with a vibrant, fruity-herbal character reminiscent of crushed valerian leaves and overripe apples. The top note has a slightly fermented sweetness like cider, quickly settling into a heart of damp herbs and chamomile tea. As it dries, it reveals a soft woody undertone with whispers of dried hay. Unlike its cousin linalool, this ester carries a distinct lactonic quality that makes it particularly useful for creating ‘natural’ fruity effects in synthetic accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the citrus-herbal duality, linalyl isovalerate bridges the gap between lemon top notes and mossy base in this classic cologne structure.
Jean-Claude Ellena employs it to create the illusion of sun-warmed fig leaves, where its fruity facets enhance the lactonic theme without overpowering.
2D Molecular Structure
SMILES: CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Linalyl isovalerate is an ester formed from linalool and isovaleric acid. While theoretically present in trace amounts in some plants, commercial material is exclusively synthetic. Industrial production typically involves acid-catalyzed esterification under controlled conditions. The molecule lacks chiral centers, making stereochemical considerations irrelevant for standard fragrance applications. Its relatively simple structure contributes to good stability in alkaline formulations compared to more complex terpene esters.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | 0.02 ppm in air |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds fruity-herbal lift |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Shampoos and soaps |
Classic Accords
Tip: Use to ‘green up’ fruity top notes or add naturalistic complexity to citrus blends.
Alternatives & Comparisons
For a cleaner, more floral effect without the fruity facets. Preferred when working with lavender reconstitutions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards (as of 51st Amendment).
RIFM Assessment
Considered safe as used in current fragrance applications according to RIFM assessments.
Sustainability
As a purely synthetic material, linalyl isovalerate avoids agricultural supply chain issues. Its production from petrochemical precursors raises standard environmental concerns associated with ester synthesis, but its potency means relatively small quantities are needed in formulations. Some manufacturers are exploring bio-based routes using fermented isovaleric acid.
Explore Linalyl isovalerate
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References
- Bauer, K. 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 1118-27-0Physical Properties
| Molecular Weight | 238.37 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.6🔬 PubChem |
| Boiling Point | 188 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.888💻 Calculated |
| SMILES | CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | applecitrussweet• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| Linalyl isovalerate has a stable, suave, fruity odor and a sweet, apple-like taste somewhat reminiscent of plum and peach.📖 Fenaroli | |
Regulatory Status
| 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: DTXSID5047160
Physical Properties
| Molecular Weight | 238.371 g/mol🔬 EPA CompTox |
| Density | 0.884 g/cm^3🔬 EPA CTX |
| Boiling Point | 188 °C🔬 EPA CTX |
| Melting Point | -30.974 °C📊 OPERA |
| Flash Point | 89.307 °C📊 OPERA |
| Refractive Index | 1.455 Dimensionless📊 OPERA |
| Molar Volume | 268.553 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.018 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.018 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.018 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.89 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.011 mmHg📊 OPERA |
| Viscosity | 2.32 cP📊 OPERA |
| Surface Tension | 26.983 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.042 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 | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 72.867 cm^3/mol📊 OPERA |
| Polarizability | 28.887 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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