Octyl acetate (CAS 112-14-1) — Sweet Top Note Fragrance Ingredient
Octyl acetate
CAS 112-14-1
What Is Octyl acetate?
Octyl acetate is a synthetic ester commonly found in perfumes and flavorings. It has a fruity, orange-like scent that adds a sweet, fresh top note to fragrances. This ingredient matters because it provides cost-effective fruity notes without citrus volatility, making it a workhorse in modern perfumery for creating long-lasting fruity-floral accords.
Safety Profile
GENERALLY SAFEWhat Does Octyl acetate Smell Like?
Octyl acetate bursts with the juicy sweetness of overripe oranges, like peeling citrus fruit with your fingernails. The initial brightness mellows into a waxy, pear-like heart reminiscent of fruit candies left in the sun. Dry-down reveals a clean laundry musk with surprising tenacity for a fruity ester – imagine orange peels drying on warm stones.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as an affordable citrus extender, blending with bergamot to create the illusion of expensive natural citrus oils while improving stability.
Provides synthetic freshness in the fruity top notes, contributing to the mass-appeal shower-fresh character without citrus phototoxicity concerns.
2D Molecular Structure
SMILES: CCCCCCCCOC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Octyl acetate is a straight-chain fatty acid ester formed from octanol and acetic acid. Industrially produced via Fischer esterification with acid catalysts. The simple structure lacks chirality but shows excellent stability against hydrolysis compared to lower molecular weight esters. Synthetic production ensures consistent quality without seasonal variation.
Physical & Chemical Properties
| Boiling Point | 210 °C |
|---|---|
| Density | 0.87 g/cm³ |
| Vapor Pressure | 0.16 mmHg at 25°C |
| Refractive Index | 1.418 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Fruity top note enhancer |
| Functional Fragrance | 0.5-2% | Up to 5% | Cost-effective fruity note |
Classic Accords
Tip: Use with ionones to create peach-apricot effects without lactones.
Alternatives & Comparisons
When needing slightly more waxy, pear-like character with better longevity at the expense of some freshness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions – IFRA unrestricted (2023 amendment)
RIFM Assessment
RIFM assessment complete – no safety concerns at current usage levels.
Sustainability
Synthesized from petrochemical feedstocks but with low environmental impact due to efficient production. Biodegradation studies show >90% breakdown in 28 days. Preferred over natural citrus oils for reduced land/water use in cultivation.
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References
- PubChem Compound Summary for Octyl acetate CID 8164
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 112-14-1Physical Properties
| Molecular Weight | 172.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.4🔬 PubChem |
| Boiling Point | 206 °C🔬 EPA CompTox |
| Vapor Pressure | 0.4 mmHg @ 25°C📊 OPERA |
| Flash Point | 87.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0328💻 Calculated |
| log Kp (skin permeability) | -1.337💻 Calculated |
| SMILES | CCCCCCCCOC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusfloralfruitygreenjasmineorangepeach• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Fruity, slightly fatty, waxy-floral odor with a discretely green, Apple-like or almost "weedy" note, while the undertones are mildly woody. Moderate to poor tenacity.”📖 Arctander | |
| Octyl acetate has a fruity odor reminiscent of neroli and jasmine with a fruity, slightly bitter taste suggestive of peach. Note: This compound should not be confused with 2ethyl hexyl acetate.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 3.8171 ppm (n=2)📖 van Gemert |
Regulatory Status
| 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: DTXSID8044202
Physical Properties
| Molecular Weight | 172.268 g/mol🔬 EPA CompTox |
| Density | 0.863 g/cm^3🔬 EPA CTX |
| Boiling Point | 209.75 °C🔬 EPA CTX |
| Melting Point | -38.429 °C🔬 EPA CTX |
| Flash Point | 85.633 °C🔬 EPA CTX |
| Refractive Index | 1.423 Dimensionless📊 OPERA |
| Molar Volume | 197.085 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.96 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.96 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.96 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.06 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.4 mmHg🔬 EPA CTX |
| Viscosity | 1.625 cP📊 OPERA |
| Surface Tension | 27.567 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.667 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 50.152 cm^3/mol📊 OPERA |
| Polarizability | 19.882 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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