Anisyl acetate (isomer unspecified) (CAS 1331-83-5) — Sweet Heart Note Fragrance Ingredient
Anisyl acetate (isomer unspecified)
CAS 1331-83-5
What Is Anisyl acetate (isomer unspecified)?
Anisyl acetate is a sweet, floral-herbal aroma chemical found in some gourmand and floral perfumes. It mimics aspects of lilac and vanilla with a subtle anise-like quality. Consumers encounter it in body sprays, candles, and some feminine fragrances where a soft powdery sweetness is desired. This versatile material bridges floral and gourmand categories, often used to create comforting, nostalgic scent profiles. Its ability to blend with both vanillic and white floral notes makes it valuable for perfumers seeking subtle complexity without overpowering effects.
Safety Profile
GENERALLY SAFEWhat Does Anisyl acetate (isomer unspecified) Smell Like?
Anisyl acetate unfolds with an initial burst of candied lilac petals drizzled with vanilla syrup, quickly settling into a warm, powdery heart reminiscent of marshmallow fluff dusted with anise seeds. The dry-down reveals a delicate balance between floral musk and gourmand sweetness, like the ghost of licorice hovering over fresh laundry. Unlike sharper anisic compounds, it maintains a rounded softness throughout evaporation, never becoming medicinal. The overall effect is cozy yet sophisticated – imagine a vintage lace handkerchief stored in a cookie tin.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the powdery orris-anise accord in the heart, adding a subtle gourmand dimension to the floral bouquet without overpowering the delicate violet-lilac harmony.
Contributes to the vanilla-coconut-anise gourmand triad, smoothing the transition between bright top notes and dense amber base with its soft floral character.
2D Molecular Structure
SMILES: CO*.CC(=O)OCC1=CC=CC=C1 |c:9,11,t:7,lp:1:2,5:2,6:2,m:2:12.13.11|
Chemistry, Properties & Perfumer Guide
The Chemistry
Anisyl acetate is an ester formed from anisyl alcohol and acetic acid, belonging to the phenylpropanoid class of aroma chemicals. While naturally occurring in some plants at trace levels, commercial production typically involves Fischer esterification under acidic conditions. The unspecified isomer reference usually indicates a racemic mixture rather than isolated stereoisomers. Its molecular structure features a methoxy-substituted benzene ring connected to an acetate group, explaining both its floral and sweet aromatic properties. The compound’s stability makes it resistant to hydrolysis in most cosmetic formulations.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~265 °C (estimated) |
| Density | ~1.1 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as floral-gourmand bridge |
| Candles | 1-3% | Up to 8% | Enhances vanilla notes without scorching |
Classic Accords
Tip: Use with ionones to create a more natural-seeming floral effect in gourmand bases.
Alternatives & Comparisons
When a less sweet, more phenolic character is desired. Lacks the vanilla-like aspects but provides sharper anisic lift.
For brighter, more diffusive anisic notes with greater oxidative stability in citrus-heavy formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions under Amendment 49. Classified as a non-restricted ingredient.
RIFM Assessment
RIFM assessment confirms safe use at current industry levels based on available toxicological data.
Sustainability
As a synthetic material, anisyl acetate production avoids agricultural land use but depends on petrochemical feedstocks. Modern manufacturing typically employs green chemistry principles with high atom economy in esterification steps. The material’s potency means relatively small quantities are required in formulations, reducing overall environmental load compared to some natural alternatives.
Explore Anisyl acetate (isomer unspecified)
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439817403
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 1331-83-5Physical 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: DTXSID8047470
Partition & Solubility
| LogP (Octanol-Water) | 1.847 dimensionless💻 Computed |
Molecular Descriptors
| Topological Polar Surface Area | 35.53 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
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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