Octyl formate (CAS 112-32-3) — Citrus Top Note Fragrance Ingredient
Octyl formate
CAS 112-32-3
What Is Octyl formate?
Octyl formate is a synthetic ester used in perfumery for its fresh, fruity aroma. You’ll encounter it in citrusy colognes, fruity body sprays, and some household cleaners. This ingredient matters because it adds a bright, slightly green top note that mimics natural fruits, helping create uplifting openings in many fragrances without relying solely on citrus oils.
Safety Profile
GENERALLY SAFEWhat Does Octyl formate Smell Like?
Octyl formate bursts with a sparkling, effervescent quality reminiscent of barely ripe pears and freshly peeled oranges. The initial impression is intensely fruity—like a green apple sliced with a stainless steel knife—before softening into a floral-tinged heart with subtle rosy undertones. As it dries down, it leaves a clean, slightly waxy trail similar to the scent of apple skins left in sunlight. The evolution is quick (15-30 minutes) but leaves behind a delicate sweetness that blends seamlessly with floral and woody bases.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a brightening agent in the citrus top, enhancing the bergamot with a juicy, slightly green fruitiness that transitions smoothly into the floral heart.
Contributes to the crisp apple-pear accord that defines this fragrance’s uplifting opening, pairing with Sicilian lemon for extra freshness.
2D Molecular Structure
SMILES: CCCCCCCCOC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Octyl formate belongs to the ester class, synthesized via Fischer esterification between 1-octanol and formic acid. As a straight-chain aliphatic ester, it lacks chirality but shows excellent stability in acidic formulations. Industrial production typically uses sulfuric acid as a catalyst at 60-80°C. The molecule’s volatility stems from its moderate chain length (C8), balancing fruity top notes with enough persistence to bridge to middle notes.
Physical & Chemical Properties
| Boiling Point | 198-200 °C |
|---|---|
| Density | 0.865 g/cm³ at 20°C |
| Refractive Index | 1.415-1.420 |
| Flash Point | 76 °C (closed cup) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Fruity top note accent |
| Functional Fragrance | 0.1-1% | Up to 2% | Clean/fresh modifiers |
Classic Accords
Tip: Use to lift citrus blends without adding excessive sweetness—ideal for modern colognes needing crispness.
Alternatives & Comparisons
More volatile with sharper rum-like top notes; use when extreme freshness is needed but requires faster evaporation.
Softer, more orange-like character; better for rounded fruity effects where greenness should be minimized.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under any IFRA standards (as of 51st Amendment).
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels with no significant sensitization concerns.
Sustainability
As a petrochemical-derived ester, octyl formate avoids agricultural land use but depends on fossil feedstocks. Modern production often utilizes green chemistry principles with >90% atom efficiency. Biocatalytic routes using lipases are under development but not yet commercially viable at scale.
Explore Octyl formate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 112-32-3Physical Properties
| Molecular Weight | 158.24 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.5🔬 PubChem |
| Boiling Point | 87 °C🔬 EPA CompTox |
| Flash Point | 77.2 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.18💻 Calculated |
| SMILES | CCCCCCCCOC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusfruitygreenorangeorrisrose• leffingwell |
| Functional Groups | ether💻 RDKit |
| “Powerful and relatively diffusive, fruity-green, Orris-Rose type odor of poor tenacity.”📖 Arctander | |
| n-Octyl formate has a fruity odor with a rose-orange note and a bitter flavor, refreshingly fruity green at low concentrations.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Refreshing, fruity-green taste in concentrations below 10 ppm.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2809⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Artificial📖 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: DTXSID4059417
Physical Properties
| Molecular Weight | 158.241 g/mol🔬 EPA CompTox |
| Density | 0.872 g/cm^3🔬 EPA CTX |
| Boiling Point | 198.8 °C🔬 EPA CTX |
| Melting Point | -39.1 °C🔬 EPA CTX |
| Flash Point | 75.71 °C🔬 EPA CTX |
| Refractive Index | 1.419 Dimensionless📊 OPERA |
| Molar Volume | 180.777 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.461 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.461 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.461 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.58 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.6 mmHg📊 OPERA |
| Viscosity | 1.976 cP📊 OPERA |
| Surface Tension | 28.197 dyn/cm📊 OPERA |
| Thermal Conductivity | 144.755 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 | 8 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 45.677 cm^3/mol📊 OPERA |
| Polarizability | 18.108 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.
Related Research
- Stearic Acid (CAS 57-11-4) — Woody Base Note Fragrance Ingredient
- Carvacryl Ethyl Ether (CAS 4732-13-2) — Mid Note Fragrance Ingredient
- Methyl 2-[[[2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl]methylene]amino]benzoate (CAS 68738-99-8) — Woody Middle to base Note Fragrance Ingredient
- Nonane, 1,1-diethoxy- (CAS 54815-13-3) — Woody Middle Note Fragrance Ingredient
![1,7,7-Trimethylbicyclo[4.4.0]dec-3-yl acetate (CAS 24238-95-7) — Woody Middle Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/1-7-7-trimethylbicyclo-4-4-0-dec-3-yl-acetate-1-768x439.webp)
