Isobutyl acetate (CAS 110-19-0) — Sweet Top Note Fragrance Ingredient
Isobutyl acetate
CAS 110-19-0
What Is Isobutyl acetate?
Isobutyl acetate is a fruity-smelling ester commonly found in nail polish removers and industrial solvents. Many recognize its sweet, banana-like scent from household products. This synthetic ingredient matters in perfumery for creating bright, top-note fruit accords, especially in citrus and tropical fragrances where its volatility provides immediate impact.
Safety Profile
GENERALLY SAFEWhat Does Isobutyl acetate Smell Like?
Isobutyl acetate bursts with a sharp, effervescent fruitiness reminiscent of overripe pears and banana Runts candy. The initial punch settles into a cleaner, slightly floral character akin to nail polish remover, but more pleasant. Within 30 minutes, it nearly disappears, leaving just a whisper of sweet solvent that blends seamlessly with citrus oils. Its dry-down is remarkably clean – no residual waxiness or chemical off-notes that plague some acetate esters.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a crisp, fruity top note enhancer that amplifies the citrus opening while adding subtle tropical nuances without sweetness.
Provides a bright, synthetic fruit effect that complements the lemon and pineapple notes in this iconic unisex fragrance.
2D Molecular Structure
SMILES: CC(C)COC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Isobutyl acetate belongs to the ester class, synthesized through Fischer esterification of acetic acid with isobutanol. This small branched-chain ester (C6H12O2) exhibits greater volatility than its straight-chain counterparts. Industrial production typically uses acid catalysts under reflux conditions. The molecule’s compact structure contributes to its rapid evaporation and clean olfactory profile.
Physical & Chemical Properties
| Boiling Point | 118 °C |
|---|---|
| Flash Point | 18 °C (closed cup) |
| Density | 0.871 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruit accord brightener |
| Functional Fragrance | 1-3% | Up to 10% | Masking agent |
Classic Accords
Tip: Use in citrus bases at 0.1-0.5% to add lift without sweetness.
Alternatives & Comparisons
More banana-like with longer tenacity, better for tropical fruit compositions requiring persistence.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions (48th Amendment).
GHS Classification
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels.
Sustainability
As a petrochemical derivative, isobutyl acetate has moderate environmental impact. Modern production methods achieve 85-90% atom efficiency. Biobased routes from fermented isobutanol show promise but remain commercially unviable.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090864
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 110-19-0Physical Properties
| Molecular Weight | 116.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.8🔬 PubChem |
| Boiling Point | 117.3 °C🔬 EPA CompTox |
| Vapor Pressure | 20.68 mmHg @ 25°C📊 OPERA |
| Flash Point | 16.7 °C🔬 EPA CompTox |
| Involatility Index | 2.068💻 Calculated |
| log Kp (skin permeability) | -2.131💻 Calculated |
| SMILES | CC(C)COC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applebananafruitypearpineapple• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Very diffusive, ethereal odor resembling Rum ("fermented" odor) with a distinct fruity note.”📖 Arctander | |
| Isobutyl acetate has a fruity (currant-pear), floral (hyacinth-rose) odor and a characteristic ether-like, slightly bitter flavor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Aqueous solutions have a sweet-fruit taste. This ester is occasionally used in perfume compositions. Traces of the ester can introduce interesting lift and topnotes to delicate floral fragrances, such as Tiarose. Very commonly used in flavor compositions”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 1.8695 ppm (n=8)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2175⚖️ 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: DTXSID5026837
Physical Properties
| Molecular Weight | 116.16 g/mol🔬 EPA CompTox |
| Density | 0.87 g/cm^3🔬 EPA CTX |
| Boiling Point | 117.002 °C🔬 EPA CTX |
| Melting Point | -98.702 °C🔬 EPA CTX |
| Flash Point | 19.697 °C🔬 EPA CTX |
| Refractive Index | 1.396 Dimensionless📊 OPERA |
| Molar Volume | 131.435 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 15.959 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.719 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.719 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.45 Log10 unitless🔬 EPA CTX |
| Water Solubility | 0.058 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.001 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 21.787 mmHg🔬 EPA CTX |
| Viscosity | 0.622 cP📊 OPERA |
| Surface Tension | 24.049 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.445 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 31.58 cm^3/mol📊 OPERA |
| Polarizability | 12.519 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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