Isopulegol (CAS 89-79-2) — Citrus Top to Middle Note Fragrance Ingredient
Isopulegol
CAS 89-79-2
What Is Isopulegol?
Isopulegol is a minty, fresh ingredient used in perfumes and body care products. You’ll find it in aftershaves, colognes, and some floral fragrances where it adds a crisp herbal lift. This synthetic molecule matters because it’s a key building block for creating more complex minty-citrus effects without being overpowering. It helps perfumers achieve that ‘just showered’ freshness in modern fragrances.
Safety Profile
GENERALLY SAFEWhat Does Isopulegol Smell Like?
Isopulegol bursts with a vivid peppermint freshness, like crushed eucalyptus leaves under morning dew. The opening is all crisp mentholated energy – imagine inhaling deeply in a pine forest after rain. As it evolves, subtle citrus undertones emerge, reminiscent of lemon peel without the acidity. The dry-down reveals a clean, slightly woody character that lingers as a refreshing whisper. Unlike sharper mints, it maintains rounded edges, making it exceptionally versatile for both masculine and feminine compositions.
2D Molecular Structure
SMILES: C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Isopulegol is a monoterpenoid alcohol with the molecular formula C10H18O. While it occurs naturally in trace amounts in some essential oils like lemongrass and eucalyptus, commercial isopulegol is almost exclusively synthesized from citronellal via acid-catalyzed cyclization. The molecule exists as four stereoisomers, with (-)-isopulegol being the most commercially important. Industrial production typically involves catalytic hydrogenation of isopulegone or enzymatic reduction methods, with the (-)-isomer prized for its superior olfactory properties in fragrance applications.
Physical & Chemical Properties
| Boiling Point | 198-200 °C |
|---|---|
| Density | 0.906 g/cm³ |
| Refractive Index | 1.469 |
| Flash Point | 79 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fresh top note modifier |
| Personal Care | 0.1-0.5% | Up to 1% | Minty freshness booster |
| Functional Products | 0.05-0.2% | Up to 0.5% | Masking agent |
Classic Accords
Tip: Use isopulegol to ‘lift’ heavy citrus blends – it prevents lemon notes from turning soapy.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards (Amendment 49).
RIFM Assessment
RIFM assessment concludes safe use at current industry levels.
Sustainability
As a synthetic material, isopulegol production avoids harvesting pressure on natural sources. Modern catalytic processes minimize waste and energy use compared to traditional synthesis routes. Being petroleum-derived, its carbon footprint depends on green chemistry practices, but its potency means very small quantities are needed in formulations. Some manufacturers now offer bio-based versions derived from renewable turpentine feedstocks.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- PubChem Compound Summary for Isopulegol CID 6988
- IFRA Standards Library Amendment 49
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPerfumer’s Notes
FEMA #: 2962 | IOFI #: Nature Identical
Isopulegol is a cyclic non-aromatic alcohol.
MW: 154.25
LogP: 3
Ingredient Data Sheet
CAS 89-79-2Physical Properties
| Molecular Weight | 154.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 216 °C🔬 EPA CompTox |
| Vapor Pressure | 0.1117 mmHg @ 25°C📊 OPERA |
| Flash Point | 85 °C🔬 EPA CompTox |
| Involatility Index | 0.0097💻 Calculated |
| log Kp (skin permeability) | -1.511💻 Calculated |
| SMILES | CC1CCC(C(C1)O)C(=C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 1.7 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alcoholalkene💻 RDKit |
| “Minty-herbaceous, bitter-sweet odor of moderate tenacity.”📖 Arctander | |
| Isopulegol is a cyclic non-aromatic alcohol.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Bitter, rather sharp taste at concentrations higher than 50 ppm. Herbaceous-bitter or bitter-sweet, minty taste near 10 ppm. It is also used in flavor compositions in concentrations equal to 5 to 30 ppm in the finished product. The application is mainly in the minty types and in a few Berry flavor t”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 1 ppm📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2962⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| 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: DTXSID5047116
Physical Properties
| Molecular Weight | 154.253 g/mol🔬 EPA CompTox |
| Density | 0.912 g/cm^3🔬 EPA CTX |
| Boiling Point | 212.568 °C🔬 EPA CTX |
| Melting Point | 39.75 °C🔬 EPA CTX |
| Flash Point | 85 °C🔬 EPA CTX |
| Refractive Index | 1.472 Dimensionless📊 OPERA |
| Molar Volume | 168.964 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.4 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.005 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.005 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.86 Log10 unitless📊 OPERA |
| Water Solubility | 0.008 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.128 mmHg🔬 EPA CTX |
| Viscosity | 10.534 cP📊 OPERA |
| Surface Tension | 30.123 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.784 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 47.346 cm^3/mol📊 OPERA |
| Polarizability | 18.769 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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