Isobornyl 2-methylpropionate (CAS 85586-67-0) — Woody Middle Note Fragrance Ingredient
Isobornyl 2-methylpropionate
CAS 85586-67-0
What Is Isobornyl 2-methylpropionate?
Isobornyl 2-methylpropionate is a synthetic fragrance ingredient commonly found in air fresheners, cleaning products, and masculine colognes. It provides a fresh, woody-pine character with subtle fruity undertones. This versatile molecule helps create modern fougère and chypre accords, lending crispness without overpowering other notes. Its stability makes it valuable for products requiring long-lasting freshness.
Safety Profile
GENERALLY SAFEWhat Does Isobornyl 2-methylpropionate Smell Like?
Isobornyl 2-methylpropionate opens with a brisk, camphoraceous pine note reminiscent of alpine forests, quickly revealing a juicy blackcurrant-like fruitiness. The heart develops woody facets with a clean laundry musk character, while the dry-down leaves a polished cedar impression with faint citrus highlights. Unlike sharper terpenes, it maintains rounded edges throughout evaporation, behaving like a hybrid between isoborneol and isoamyl acetate.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a crisp woody modifier in the modern fougère structure, enhancing the shaving cream freshness alongside ambroxan.
Provides subtle pine-like lift to the violet leaf accord, creating an outdoor freshness without literal coniferous notes.
2D Molecular Structure
SMILES: CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Isobornyl 2-methylpropionate is an ester formed from isoborneol and isobutyric acid. Industrially produced via acid-catalyzed esterification, it belongs to the bicyclic monoterpenoid class. The isobornyl moiety introduces stereochemical complexity with three chiral centers, typically used as a racemic mixture in perfumery. Its compact molecular structure (C14H24O2) combines volatility resistance with good diffusion properties.
Physical & Chemical Properties
| Boiling Point | ~250 °C (estimated) |
|---|---|
| Flash Point | >100 °C |
| Density | ~0.95 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | 0.5-5% | Woody-fresh accent |
| Functional Products | 0.2-1% | Up to 2% | Long-lasting freshness |
Classic Accords
Tip: Use to bridge citrus top notes with woody bases in masculine fragrances.
Alternatives & Comparisons
More pine-forward with less fruitiness, better for literal forest accords.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA 51st Amendment.
RIFM Assessment
Considered safe at current use levels based on structural analogs.
Sustainability
Synthesized from renewable pinene feedstocks, this material has lower environmental impact than traditional woody absolutes. Production generates minimal waste through optimized esterification processes.
Explore Isobornyl 2-methylpropionate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 9783527619580
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 85586-67-0Physical Properties
| Molecular Weight | 224.34 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.3🔬 PubChem |
| Boiling Point | 243 °C🔬 EPA CompTox |
| Vapor Pressure | 0.038 mmHg @ 25°C📊 OPERA |
| Flash Point | 95.5 °C🔬 EPA CompTox |
| Involatility Index | 0.0027💻 Calculated |
| log Kp (skin permeability) | -1.015💻 Calculated |
| SMILES | CC(C)C(=O)OC1CC2CCC1(C2(C)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.2 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | camphoraceousearthyfruityherbalnuttypine• leffingwell |
| Functional Groups | esterether💻 RDKit |
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: DTXSID40888667
Physical Properties
| Molecular Weight | 224.344 g/mol🔬 EPA CompTox |
| Density | 0.959 g/cm^3📊 OPERA |
| Boiling Point | 240.654 °C📊 OPERA |
| Melting Point | 45.659 °C📊 OPERA |
| Flash Point | 100.606 °C📊 OPERA |
| Refractive Index | 1.478 Dimensionless📊 OPERA |
| Molar Volume | 228.073 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.495 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.495 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.495 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.34 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.029 mmHg📊 OPERA |
| Viscosity | 8.979 cP📊 OPERA |
| Surface Tension | 31.105 dyn/cm📊 OPERA |
| Thermal Conductivity | 110.985 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 64.585 cm^3/mol📊 OPERA |
| Polarizability | 25.603 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.
Related Research
- Spearmint oil, terpeneless (CAS 68917-46-4) — Green Top to middle Note Fragrance Ingredient
- 2-Methyl-5-(methylthio)furan (CAS 13678-59-6) — Spicy Top to Middle Note Fragrance Ingredient
- 2-Cyclohexylethyl alcohol (CAS 4442-79-9) — Woody Base Note Fragrance Ingredient
- Neryl butyrate (CAS 999-40-6) — Sweet Top to middle Note Fragrance Ingredient
![Methyl 2-[(1,3-benzodioxol-5-ylmethylene)amino]benzoate (CAS 72939-49-2) — Sweet Middle Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/methyl-2-1-8-768x439.webp)
