Isophytol (CAS 505-32-8) — Green Middle Note Fragrance Ingredient
Isophytol
CAS 505-32-8
What Is Isophytol?
Isophytol is a synthetic fragrance ingredient often found in fine fragrances and personal care products. It contributes a fresh, green, and slightly woody character to compositions. This versatile molecule is valued for its ability to enhance naturalistic accords, making it popular in both masculine and feminine fragrances.
Safety Profile
GENERALLY SAFEWhat Does Isophytol Smell Like?
Isophytol offers a crisp, green opening reminiscent of freshly crushed leaves, evolving into a subtle woody heart with hints of damp earth. The dry-down reveals a clean, slightly powdery character that blends seamlessly with other notes. Its profile is reminiscent of a sunlit forest after rain, with a modern synthetic edge.
2D Molecular Structure
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Isophytol is a branched-chain unsaturated alcohol belonging to the terpenoid family. It is typically synthesized from petrochemical precursors via aldol condensation reactions. The molecule’s structure allows for versatile interactions with other fragrance components, particularly in green and woody accords.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds green freshness |
| Personal Care | 0.5-3% | Up to 5% | Functional freshness |
Classic Accords
Tip: Use with citrus top notes to enhance freshness and longevity.
Alternatives & Comparisons
Natural alternative with similar green character but different stability profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
RIFM has not published a specific safety assessment for isophytol.
Sustainability
As a synthetic material, isophytol’s environmental impact depends on production methods. Many manufacturers are adopting greener chemistry approaches to reduce energy use and waste.
Explore Isophytol
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References
- PubChem Compound Summary for Isophytol PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPerfumer’s Notes
Odor: [‘leafy’, ‘odorless’, ‘sweet’, ‘tea’]
MW: 296.5
LogP: 7.8
Ingredient Data Sheet
CAS 505-32-8Physical Properties
| Molecular Weight | 296.5 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 7.8🔬 PubChem |
| Boiling Point | 107 °C🔬 EPA CompTox |
| Vapor Pressure | 5.8 mmHg @ 25°C📊 OPERA |
| Flash Point | 173 °C🔬 EPA CompTox |
| Involatility Index | 0.363💻 Calculated |
| log Kp (skin permeability) | 1.029💻 Calculated |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | leafyodorlesssweettea• leffingwell |
| Functional Groups | alcoholalkene💻 RDKit |
| “Virtually odorless and tasteless when absolutely pure, but normally carries a delicate, dry-leaf, tea-like and slightly caramellic-sweet odor.”📖 Arctander | |
Flavor Notes (Arctander)
| “Virtually odorless and tasteless when absolutely pure, but normally carries a delicate, dry-leaf, tea-like and slightly caramellic-sweet odor.”📖 Arctander |
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: DTXSID2025474
Physical Properties
| Molecular Weight | 296.539 g/mol🔬 EPA CompTox |
| Density | 0.849 g/cm^3🔬 EPA CTX |
| Boiling Point | 108.5 °C🔬 EPA CTX |
| Melting Point | -79 °C🔬 EPA CTX |
| Flash Point | 173 °C🔬 EPA CTX |
| Refractive Index | 1.456 Dimensionless📊 OPERA |
| Molar Volume | 352.448 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 8.8 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 7.742 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 7.742 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 10.41 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 23.279 cP📊 OPERA |
| Surface Tension | 28.281 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.788 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 | 13 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 95.808 cm^3/mol📊 OPERA |
| Polarizability | 37.981 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.
