trans-Nerolidol (CAS 40716-66-3) — Floral Middle Note Fragrance Ingredient
trans-Nerolidol
CAS 40716-66-3
What Is trans-Nerolidol?
Trans-Nerolidol is a naturally occurring floral-scented compound found in jasmine, tea tree, and citrus oils. You’ll encounter it in perfumes, soaps, and some flavored products. This versatile ingredient adds a delicate floral-green character with woody undertones, making it valuable for creating natural-smelling fragrances.
Safety Profile
GENERALLY SAFEWhat Does trans-Nerolidol Smell Like?
Trans-Nerolidol unfolds with a fresh floral-green opening reminiscent of jasmine petals and young tea leaves. As it evolves, a delicate woodiness emerges, like the scent of freshly peeled citrus bark drying in sunlight. The dry-down reveals subtle honeyed nuances with a clean, slightly powdery finish. Its character bridges floral and woody realms, offering excellent diffusion without overwhelming.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a floral modifier to enhance the jasmine absolute, adding green freshness that prevents the white florals from becoming cloying.
Provides the citrus-orange blossom accord with woody depth, creating a more sophisticated citrus cologne structure.
Contributes to the transparent floralcy, helping bridge the grapefruit top notes to the jasmine heart.
Used in the green mango accord to add naturalistic woody-floral facets that complement the tropical fruit notes.
Provides subtle floral support to the citrus notes while enhancing the fragrance’s natural diffusion.
2D Molecular Structure
SMILES: CC(C)=CCC\C(C)=C\CCC(C)(O)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Trans-Nerolidol is a sesquiterpene alcohol with three isoprene units. The trans configuration at the double bond gives it distinct olfactory properties compared to its cis counterpart. Industrially produced through chemical synthesis from linalool or farnesene precursors, though it occurs naturally in many essential oils. The molecule’s amphiphilic nature (hydrophobic hydrocarbon tail with polar alcohol head) contributes to its balanced volatility and blending properties.
Physical & Chemical Properties
| Boiling Point | 276 °C |
|---|---|
| Density | 0.88 g/cm³ |
| Refractive Index | 1.49 |
| Flash Point | >100 °C |
| Vapor Pressure | 0.001 mmHg at 25°C |
| Solubility | Slightly soluble in water, miscible in alcohol |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | 0.5-5% | Floral modifier and diffusion enhancer |
| Soap | 0.5-1% | 0.2-2% | Adds floral freshness with good stability |
| Detergents | 0.1-0.5% | 0.05-1% | Used for its cost-effective floralcy |
| Candles | 2-4% | 1-6% | Provides good throw without discoloration |
Classic Accords
Tip: Use to soften harsh woody notes while adding diffusion – particularly effective in citrus-floral compositions.
Alternatives & Comparisons
More floral with less woodiness; better for true floral reconstructions but lacks trans-Nerolidol’s diffusion properties.
More citrus-floral with higher volatility; use when a brighter top note effect is desired.
For deeper woody effects, though lacks the floral character of trans-Nerolidol.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Listed as safe under current standards (Amendment 49).
RIFM Assessment
RIFM assessment confirms safe use at current industry levels with no significant concerns.
Sustainability
Primarily produced synthetically from petrochemical precursors, though some natural extraction from orange oil byproducts exists. Synthetic production avoids agricultural land use but depends on fossil fuels. Biotech routes using engineered yeast show promise for sustainable production.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439812135
- Sell, C. (2019). A Fragrant Introduction to Terpenoid Chemistry. Royal Society of Chemistry. ISBN 9781788012150
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID2040783
Physical Properties
| Molecular Weight | 222.372 g/mol🔬 EPA CompTox |
| Density | 0.858 g/cm^3📊 OPERA |
| Boiling Point | 275.619 °C📊 OPERA |
| Melting Point | 8.604 °C📊 OPERA |
| Flash Point | 104.98 °C📊 OPERA |
| Refractive Index | 1.48 Dimensionless📊 OPERA |
| Molar Volume | 255.616 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.804 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.804 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.804 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.25 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg📊 OPERA |
| Viscosity | 8.786 cP📊 OPERA |
| Surface Tension | 28.251 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.231 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 | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 72.569 cm^3/mol📊 OPERA |
| Polarizability | 28.769 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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