Anisyl alcohol (CAS 105-13-5) — Sweet Heart to base Note Fragrance Ingredient
Anisyl alcohol
CAS 105-13-5
What Is Anisyl alcohol?
Anisyl alcohol is a sweet, floral-woody synthetic ingredient found in perfumes, soaps, and flavored products. It resembles the scent of vanilla and anise, often adding a warm, powdery dimension to fragrances. This versatile molecule matters because it bridges gourmand and floral categories, creating depth in oriental and amber compositions while being more stable than some natural alternatives.
Safety Profile
GENERALLY SAFEWhat Does Anisyl alcohol Smell Like?
Anisyl alcohol unfolds with an initial burst of sweet, powdery vanilla reminiscent of freshly baked pastries, quickly revealing a delicate floral heart akin to lilac blossoms dipped in honey. As it dries down, a subtle woody-anisic backbone emerges, like aged oak barrels storing vanilla pods. The dry-down persists for hours as a skin-hugging warmth, blending seamlessly with musks and ambers to create a comforting, almost edible trail.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Anisyl alcohol enhances Shalimar’s vanilla-oriental core, adding a powdery floral nuance that bridges the citrus top and smoky base. It creates the illusion of natural vanilla while providing superior stability.
Used as a floral-vanillic modifier in the heart, anisyl alcohol amplifies the powdery orris-anise accord while preventing excessive sweetness in this melancholic violet composition.
2D Molecular Structure
SMILES: COC1=CC=C(CO)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Anisyl alcohol (4-methoxybenzyl alcohol) belongs to the benzyl alcohol family with a para-methoxy substitution. While trace amounts occur naturally in vanilla and anise, commercial production typically involves the reduction of anisaldehyde or methoxybenzyl chloride. The para-position of the methoxy group creates a distinct sweet-floral character compared to ortho- or meta-isomers. Its relatively simple structure provides excellent stability across pH ranges, making it valuable for functional products like soaps and detergents where natural vanillins might degrade.
Physical & Chemical Properties
| Boiling Point | 259 °C |
|---|---|
| Melting Point | 22-25 °C |
| Flash Point | >100 °C |
| Density | 1.113 g/cm³ |
| Refractive Index | 1.542-1.547 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | 0.5-5% | Adds powdery floral depth |
| Soaps/Detergents | 0.2-1% | Up to 2% | Stable vanillic modifier |
| Flavors | 10-50 ppm | 5-100 ppm | Sweetener in vanilla blends |
Classic Accords
Tip: Use with ionones to create a velvety violet-vanilla effect without overwhelming sweetness.
Alternatives & Comparisons
For simpler floral effects without the vanilla character, though lacks anisyl’s powderiness and tenacity.
When more pronounced vanilla-spicy notes are desired, though this is less stable in alkaline products.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA 51st Amendment. Considered safe at all typical usage levels.
RIFM Assessment
RIFM evaluation confirms safe use in current practices with a wide margin of safety.
Sustainability
As a purely synthetic material, anisyl alcohol doesn’t deplete natural resources. Production typically uses green chemistry principles with high atom economy. Unlike natural vanillins, it doesn’t contribute to vanilla bean supply chain issues. Biodegradability studies show >90% degradation within 28 days (OECD 301B).
Explore Anisyl alcohol
Browse essential oils and aroma compounds.
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References
- Bickers et al. (2005). Safety assessment of anisyl alcohol. Food and Chemical Toxicology. PubChem CID: 7738
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 105-13-5Physical Properties
| Molecular Weight | 138.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.1🔬 PubChem |
| Boiling Point | 259 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0038 mmHg @ 25°C📊 OPERA |
| Flash Point | 76 °C🔬 EPA CompTox |
| Involatility Index | 0.0003💻 Calculated |
| log Kp (skin permeability) | -2.762💻 Calculated |
| SMILES | COC1=CC=C(C=C1)CO🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamiccoumariniccreamyfloralfruitysweetvanilla• leffingwell |
| Functional Groups | alcoholetheraromatic💻 RDKit |
| “Mild-floral, very sweet odor, reminiscent of Lilac and Vanilla with a faint, delicate, balsamic background.”📖 Arctander | |
| Anisyl alcohol has a floral odor with sweet, fruity (peach) taste.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Finds some use in flavor compositions for imitation Chocolate, Cocoa, Fruit, Vanilla and in Licorice flavorings. is not a very powerful ingredient. It tends to produce "perfumey" notes at higher concentrations, however. The quality of Anisyl alcohol is extremely important for its use in flavors.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 38 ppm📖 van Gemert |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
| EU Annex III | Listed (restricted)⚖️ IFRA 51 |
| FEMA Number | FEMA 2099⚖️ 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: DTXSID6044357
Physical Properties
| Molecular Weight | 138.166 g/mol🔬 EPA CompTox |
| Density | 1.09 g/cm^3🔬 EPA CTX |
| Boiling Point | 258.514 °C🔬 EPA CTX |
| Melting Point | 23.783 °C🔬 EPA CTX |
| Flash Point | 106.72 °C🔬 EPA CTX |
| Refractive Index | 1.531 Dimensionless📊 OPERA |
| Molar Volume | 127.252 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.998 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.132 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.132 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.4 Log10 unitless📊 OPERA |
| Water Solubility | 0.07 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.087 mmHg🔬 EPA CTX |
| Viscosity | 5.623 cP📊 OPERA |
| Surface Tension | 37.207 dyn/cm📊 OPERA |
| Thermal Conductivity | 154.856 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.46 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 39.383 cm^3/mol📊 OPERA |
| Polarizability | 15.613 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.
