Hexyl 2-methylbutyrate (CAS 10032-15-2) — Sweet Top to Middle Note Fragrance Ingredient
Hexyl 2-methylbutyrate
CAS 10032-15-2
What Is Hexyl 2-methylbutyrate?
Hexyl 2-methylbutyrate is a synthetic ester used in fruity fragrances. It adds a fresh, apple-like sweetness to perfumes. You’ll encounter it in body sprays, air fresheners, and fruit-flavored products. This ingredient matters because it provides a natural-smelling fruity note without relying on natural extracts, making fragrances more consistent and sustainable.
Safety Profile
GENERALLY SAFEWhat Does Hexyl 2-methylbutyrate Smell Like?
Hexyl 2-methylbutyrate bursts with a crisp, green apple top note that’s juicy and slightly tart. The heart reveals a smoother, ripe pear character with a hint of banana-like creaminess. As it dries down, it leaves a clean, slightly woody trail reminiscent of apple peels drying in the sun. The overall effect is like biting into a just-picked Granny Smith apple – bright, refreshing, and mouthwateringly realistic.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as the core apple note, providing the fragrance’s signature crisp, juicy character that makes it instantly recognizable.
Forms the main fruity accord, creating a realistic apple orchard impression.
Serves as the primary apple note, capturing the essence of fresh-picked apples.
2D Molecular Structure
SMILES: CCCCCCOC(=O)C(C)CC
Chemistry, Properties & Perfumer Guide
The Chemistry
Hexyl 2-methylbutyrate is an ester formed from hexanol and 2-methylbutyric acid. It’s typically synthesized via Fischer esterification under acidic conditions. The branched structure of the 2-methylbutyrate moiety contributes to its distinctive fruity character. While not found in significant quantities in nature, it’s chemically similar to esters found in apple and other fruit volatiles.
Physical & Chemical Properties
| Molecular Weight | 186.29 g/mol |
|---|---|
| Boiling Point | 198 °C |
| Density | 0.865 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Adds fruity freshness |
| Body Care | 0.1-1% | Up to 2% | Provides fruity accents |
| Air Fresheners | 0.5-5% | Up to 10% | Creates apple-like freshness |
Classic Accords
Tip: Use in small quantities to add natural-appearing fruity top notes without overpowering floral compositions.
Alternatives & Comparisons
More pear-like with less sweetness; use when a cleaner, less ripe fruit character is desired.
More banana-like; better for tropical fruit blends or candy-like effects.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Generally recognized as safe for use in fragrances.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
RIFM has evaluated this material and found it safe for current fragrance use levels.
Sustainability
As a synthetic material, hexyl 2-methylbutyrate offers consistent quality without agricultural variability. Its production doesn’t require large land use or specific growing conditions like natural fruit extracts. However, like all petrochemical-derived ingredients, its environmental impact depends on responsible sourcing and manufacturing practices.
Explore Hexyl 2-methylbutyrate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- PubChem: Hexyl 2-methylbutyrate PubChem CID: XXX
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID4047599
Physical Properties
| Molecular Weight | 186.295 g/mol🔬 EPA CompTox |
| Density | 0.857 g/cm^3🔬 EPA CTX |
| Boiling Point | 215.767 °C📊 OPERA |
| Melting Point | -54.559 °C📊 OPERA |
| Flash Point | 82.197 °C📊 OPERA |
| Refractive Index | 1.425 Dimensionless📊 OPERA |
| Molar Volume | 213.969 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.157 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.157 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.157 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.56 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.121 mmHg📊 OPERA |
| Viscosity | 1.741 cP📊 OPERA |
| Surface Tension | 26.956 dyn/cm📊 OPERA |
| Thermal Conductivity | 134.775 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 | 54.744 cm^3/mol📊 OPERA |
| Polarizability | 21.702 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.
![Poly[oxy(methyl-1,2-ethanediyl)], a-octadecyl-w-hydroxy- (CAS 25231-21-4) — Citrus N/A Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/poly-oxy-7-768x439.webp)
