Isobornyl isovalerate (CAS 7779-73-9) — Woody Heart Note Fragrance Ingredient
Isobornyl isovalerate
CAS 7779-73-9
What Is Isobornyl isovalerate?
Isobornyl isovalerate is a synthetic fragrance ingredient often found in woody, pine-like perfumes and masculine colognes. It adds a fresh, outdoorsy character reminiscent of alpine forests. This ester matters because it provides long-lasting woody notes that blend well with citrus and herbal accords, making it a versatile building block in modern perfumery.
Safety Profile
GENERALLY SAFEWhat Does Isobornyl isovalerate Smell Like?
Isobornyl isovalerate opens with a crisp, woody-pine aroma that evokes freshly cut timber and mountain air. As it evolves, a subtle fruity undertone emerges, like ripe apples wrapped in cedar shavings. The dry-down reveals a smooth, slightly sweet balsamic character that lingers on skin for hours. Its scent profile bridges the gap between sharp coniferous notes and warm amber-like base tones, making it ideal for creating depth in fougère and chypre compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody modifier to enhance the fresh-woody character alongside ambroxan and bergamot, contributing to Sauvage’s modern masculine signature.
Provides pine-like woody notes that complement the oakmoss and leather accord, reinforcing the outdoorsy character.
2D Molecular Structure
SMILES: CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Isobornyl isovalerate is an ester formed from isoborneol and isovaleric acid. As a synthetic material, it’s typically produced via acid-catalyzed esterification. The isobornyl moiety contributes woody-pine characteristics while the isovalerate ester group adds subtle fruity nuances. Its relatively large molecular size gives it moderate volatility, making it useful as a heart note in fragrance compositions.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Woody modifier |
| Functional Fragrance | 0.5-2% | Up to 5% | Pine-type freshness |
Classic Accords
Tip: Use with citrus top notes to create dynamic woody-citrus openings.
Alternatives & Comparisons
Sharper pine note with less fruity character, useful when more coniferous effect is desired.
Natural alternative from conifers, with similar woody-pine profile but different volatility.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply.
RIFM Assessment
Considered safe for current usage levels based on RIFM assessments.
Sustainability
As a synthetic material, isobornyl isovalerate offers consistent quality without natural sourcing constraints. Production typically uses petrochemical feedstocks, though some manufacturers may utilize bio-based isoborneol. Its environmental impact is moderate compared to natural alternatives that require plant harvesting.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPerfumer’s Notes
FEMA #: 2166 | IOFI #: Artificial
Isobornyl isovalerate has a warm, herbaceous, camphoraceous odor; slightly green and woody.
MW: 238.37
LogP: 4.6
Ingredient Data Sheet
CAS 7779-73-9Physical Properties
| Molecular Weight | 238.37 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.6🔬 PubChem |
| Boiling Point | 264 °C🔬 EPA CompTox |
| Vapor Pressure | 0.017 mmHg @ 25°C📊 OPERA |
| Flash Point | 117.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0012💻 Calculated |
| log Kp (skin permeability) | -0.888💻 Calculated |
| SMILES | CC(C)CC(=O)OC1CC2CCC1(C2(C)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4.2 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | esterether💻 RDKit |
| Isobornyl isovalerate has a warm, herbaceous, camphoraceous odor; slightly green and woody.📖 Fenaroli | |
Regulatory Status
| IOFI Classification | Artificial📖 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: DTXSID50653207
Physical Properties
| Molecular Weight | 238.371 g/mol🔬 EPA CompTox |
| Density | 0.903 g/cm^3🔬 EPA CTX |
| Boiling Point | 255.235 °C📊 OPERA |
| Melting Point | 40.81 °C📊 OPERA |
| Flash Point | 112.025 °C📊 OPERA |
| Refractive Index | 1.478 Dimensionless📊 OPERA |
| Molar Volume | 244.396 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.473 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.473 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.473 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.88 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.012 mmHg📊 OPERA |
| Viscosity | 12.9 cP📊 OPERA |
| Surface Tension | 31.047 dyn/cm📊 OPERA |
| Thermal Conductivity | 111.908 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 69.216 cm^3/mol📊 OPERA |
| Polarizability | 27.439 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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