1-Phenyl-3-methyl-3-pentanol (CAS 10415-87-9) — Floral Heart Note Fragrance Ingredient
1-Phenyl-3-methyl-3-pentanol
CAS 10415-87-9
What Is 1-Phenyl-3-methyl-3-pentanol?
1-Phenyl-3-methyl-3-pentanol is a synthetic fragrance ingredient used in perfumes and scented products. It contributes to floral and woody accords, often found in fine fragrances and personal care items. This molecule matters because it adds depth and longevity to scent compositions, helping create balanced, sophisticated aromas that evolve beautifully on skin.
Safety Profile
GENERALLY SAFEWhat Does 1-Phenyl-3-methyl-3-pentanol Smell Like?
1-Phenyl-3-methyl-3-pentanol offers a complex olfactory profile that unfolds in stages. Initially, it presents a fresh, slightly floral character reminiscent of lily-of-the-valley with a subtle green nuance. As it develops, the heart reveals a soft woody undertone with hints of rose petals. The dry-down is warm and musky, leaving a clean yet persistent trail. Its evolution is smooth, transitioning seamlessly from bright top notes to a comforting base that lingers without overwhelming.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the floral heart with its soft woody-musky character, providing a clean yet sophisticated backdrop to the quince and jasmine notes.
Contributes to the modern floral bouquet, adding depth and longevity while maintaining the fragrance’s airy, luminous quality.
2D Molecular Structure
SMILES: CCC(C)(O)CCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
1-Phenyl-3-methyl-3-pentanol belongs to the phenyl alcohol class, characterized by a benzene ring attached to an alcohol group. It is exclusively synthetic, typically produced through Grignard reactions or hydrogenation of corresponding ketones. The molecule’s structure allows for good stability and moderate volatility, making it valuable in perfumery. Its chiral centers (if present) could influence odor characteristics, though commercial versions are usually racemic mixtures.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Floral-woody modifier |
| Soap | 0.5-2% | Up to 3% | Adds clean floral character |
Classic Accords
Tip: Use as a bridge between floral top notes and woody base notes for seamless transitions.
Alternatives & Comparisons
For a more straightforward rosy floral character without the woody-musky complexity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material.
RIFM Assessment
Currently under evaluation by RIFM; preliminary data suggests safe use at current levels.
Sustainability
As a synthetic material, 1-Phenyl-3-methyl-3-pentanol has minimal environmental impact in production compared to some natural alternatives. Its consistent quality and availability make it a reliable choice for sustainable fragrance development when natural ingredients may be scarce or ethically questionable.
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Ingredient Data Sheet
CAS 10415-87-9Physical Properties
| Molecular Weight | 178.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 112 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.657💻 Calculated |
| SMILES | CCC(C)(CCC1=CC=CC=C1)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfruityrose• leffingwell |
| Functional Groups | alcoholaromatic💻 RDKit |
| “Its low vapor pressure may tempt the observer to think that it is a weak odor, but it is certainly not. Its power is also demonstrated in flavors, where traces of about 1 ppm are quite perceptible with warm-fruit notes. Its fixative effect is also utilized in various fruit complexes, and the concentration in finished products is normally as low as 0.2 to 0.8 ppm.”📖 Arctander | |
| 1-Phenyl-3-methyl-3-pentanol has a warm, rose-like odor and a fruity, green taste.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Its low vapor pressure may tempt the observer to think that it is a weak odor, but it is certainly not. Its power is also demonstrated in flavors, where traces of about 1 ppm are quite perceptible with warm-fruit notes. Its fixative effect is also utilized in various fruit complexes, and the concent”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.1262 ppm (n=4)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2883⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
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: DTXSID60864266
Physical Properties
| Molecular Weight | 178.275 g/mol🔬 EPA CompTox |
| Density | 0.956 g/cm^3📊 OPERA |
| Boiling Point | 262.123 °C📊 OPERA |
| Melting Point | 19.482 °C📊 OPERA |
| Flash Point | 115.213 °C📊 OPERA |
| Refractive Index | 1.513 Dimensionless📊 OPERA |
| Molar Volume | 185.832 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.424 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.424 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.424 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.42 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.01 mmHg📊 OPERA |
| Viscosity | 11.437 cP📊 OPERA |
| Surface Tension | 34.246 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.581 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 | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 55.834 cm^3/mol📊 OPERA |
| Polarizability | 22.134 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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