Anisyl formate (CAS 122-91-8) — Floral Middle Note Fragrance Ingredient
Anisyl formate
CAS 122-91-8
What Is Anisyl formate?
Anisyl formate is a synthetic fragrance compound that mimics the sweet, floral-anisic scent of certain flowers and fruits. It’s often found in perfumes, soaps, and flavored products. This ingredient adds a delicate, powdery sweetness reminiscent of lilac or hawthorn blossoms to fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does Anisyl formate Smell Like?
Anisyl formate unfolds with an initial burst of sweet, powdery florals reminiscent of lilacs in bloom, underscored by a subtle anisic nuance. As it evolves, the heart reveals a delicate fruity facet akin to overripe pears dipped in vanilla, while maintaining its soft floral character. The dry-down lingers with a whisper of heliotropin-like sweetness, leaving a clean, slightly woody trail that blends seamlessly with other floral and gourmand ingredients.
2D Molecular Structure
SMILES: COC1=CC=C(COC=O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Anisyl formate is an ester formed from anisyl alcohol and formic acid. As a synthetic compound, it’s typically produced through esterification reactions under acidic conditions. The molecule features a methoxy-substituted benzene ring (characteristic of anisic compounds) esterified with formic acid, creating its distinctive sweet-floral odor profile. While not found in nature, it closely mimics certain floral scent components.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Floral modifier |
| Soap | 0.1-0.5% | Up to 1% | Sweet floral note |
| Detergents | 0.05-0.2% | Up to 0.5% | Background floral |
| Candles | 1-3% | Up to 5% | Sweet floral accent |
Classic Accords
Tip: Use to soften harsh floral top notes and add powdery depth to vanilla-based accords.
Alternatives & Comparisons
Similar anisic character but with more fruity-pear nuances and less powderiness.
Offers a brighter, more jasmine-like floral character with similar esteric sweetness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to anisyl formate.
RIFM Assessment
RIFM has not published a specific safety assessment for anisyl formate, but it is considered safe at current usage levels.
Sustainability
As a synthetic material, anisyl formate production doesn’t rely on natural resources. However, its synthesis typically involves petrochemical precursors. The environmental impact is moderate compared to natural extracts, with the advantage of consistent quality and no agricultural land use.
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Ingredient Data Sheet
CAS 122-91-8Physical Properties
| Molecular Weight | 166.17 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.7🔬 PubChem |
| Boiling Point | 220 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.507💻 Calculated |
| SMILES | COC1=CC=C(C=C1)COC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralgreenspicysweetvanilla• leffingwell |
| Functional Groups | etheraromatic💻 RDKit |
| “Sweet herbaceous-green, yet somewhat dry odor with a faintly musty, but not unpleasant undertone. Reminiscent of Vanilla beans (cured) with an exotic-floral background, much drier than the acetate.”📖 Arctander | |
| Anisyl formate has a floral, sweet, faint balsamic odor and fruity (strawberry) taste. The floral note varies, depending on whether synthetic or natural anisic alcohol has been used (probably because of the purity of the starting alcohol).📖 Fenaroli | |
Flavor Notes (Arctander)
| “Finds extensive use in flavor compositions for imitation Raspberry, Blackberry, Black-currant, Strawberry, Vanilla, Fruit, and in Licorice flavorings, etc. Prod. from Anisalcohol and Formic acid. The quality of the Anisalcohol is extremely important for the quality of Anisyl formate for flavors. Any”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2101⚖️ 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: DTXSID7047649
Physical Properties
| Molecular Weight | 166.176 g/mol🔬 EPA CompTox |
| Density | 1.14 g/cm^3🔬 EPA CTX |
| Boiling Point | 160 °C🔬 EPA CTX |
| Melting Point | 37.006 °C📊 OPERA |
| Flash Point | 99.017 °C📊 OPERA |
| Refractive Index | 1.504 Dimensionless📊 OPERA |
| Molar Volume | 149.934 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.691 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.691 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.691 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.07 Log10 unitless📊 OPERA |
| Water Solubility | 0.018 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.445 mmHg📊 OPERA |
| Viscosity | 3.236 cP📊 OPERA |
| Surface Tension | 36.588 dyn/cm📊 OPERA |
| Thermal Conductivity | 147.382 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 35.53 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 44.413 cm^3/mol📊 OPERA |
| Polarizability | 17.607 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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