alpha-Isobutylphenethyl alcohol (CAS 7779-78-4) — Floral Heart Note Fragrance Ingredient
alpha-Isobutylphenethyl alcohol
CAS 7779-78-4
What Is alpha-Isobutylphenethyl alcohol?
Alpha-Isobutylphenethyl alcohol is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes to floral and sweet accords, often found in fine fragrances and body care formulations. This alcohol derivative enhances fragrance longevity and adds a subtle richness to scent profiles. Its stability and versatility make it valuable for perfumers creating modern floral compositions.
Safety Profile
GENERALLY SAFEWhat Does alpha-Isobutylphenethyl alcohol Smell Like?
Alpha-Isobutylphenethyl alcohol presents a delicate floral character with sweet undertones, reminiscent of rose petals dipped in honey. The scent evolves from a fresh, slightly green top note to a heart of powdery florals, settling into a soft, musky base. Its dry-down reveals a clean, slightly woody finish that blends seamlessly with other ingredients. The overall impression is elegant and understated, adding depth without overpowering.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a modifier to enhance the floral bouquet, adding sweetness and longevity to the iconic aldehydic floral composition.
Contributes to the rich floral heart, blending with ylang-ylang and rose to create a luxurious, feminine accord.
2D Molecular Structure
SMILES: CC(C)CC(O)CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Alpha-Isobutylphenethyl alcohol is a synthetic aromatic alcohol. It belongs to the phenethyl alcohol family, modified with an isobutyl group to alter its olfactory properties. The compound is typically synthesized through Friedel-Crafts alkylation or reduction of corresponding ketones. Its molecular structure allows for good stability and moderate volatility, making it suitable for various fragrance applications.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Floral modifier |
| Personal Care | 0.5-2% | Up to 3% | Adds floral depth |
Classic Accords
Tip: Use in floral compositions to add sweetness without overwhelming the bouquet.
Alternatives & Comparisons
A simpler aromatic alcohol with a more straightforward rose character, suitable when less complexity is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
Not currently assessed by RIFM.
Sustainability
As a synthetic ingredient, alpha-Isobutylphenethyl alcohol has minimal environmental impact in production. Its consistent quality and availability make it a sustainable choice compared to some natural alternatives that may have sourcing challenges.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 7779-78-4Physical Properties
| Molecular Weight | 178.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.5🔬 PubChem |
| Boiling Point | 255 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0135 mmHg @ 25°C📊 OPERA |
| Flash Point | 112.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0011💻 Calculated |
| log Kp (skin permeability) | -1.302💻 Calculated |
| SMILES | CC(C)CC(CC1=CC=CC=C1)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralherbal• leffingwell |
| Functional Groups | alcoholaromatic💻 RDKit |
| a-Isobutylphenethyl alcohol has a green, floral, somewhat herbaceous odor and a buttery, oily, caramellic flavor.📖 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: DTXSID8047717
Physical Properties
| Molecular Weight | 178.275 g/mol🔬 EPA CompTox |
| Density | 0.945 g/cm^3🔬 EPA CTX |
| Boiling Point | 238.638 °C📊 OPERA |
| Melting Point | 15.074 °C📊 OPERA |
| Flash Point | 95.784 °C📊 OPERA |
| Refractive Index | 1.51 Dimensionless📊 OPERA |
| Molar Volume | 186.537 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.458 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.458 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.458 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.4 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.083 mmHg📊 OPERA |
| Viscosity | 10.804 cP📊 OPERA |
| Surface Tension | 34.45 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.74 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 | 55.786 cm^3/mol📊 OPERA |
| Polarizability | 22.115 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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