Isophytyl acetate (CAS 58425-36-8) — Green Middle Note Fragrance Ingredient
Isophytyl acetate
CAS 58425-36-8
What Is Isophytyl acetate?
Isophytyl acetate is a synthetic fragrance ingredient used in perfumery to add fresh, green, and slightly floral nuances. Consumers may encounter it in fine fragrances, body care products, and air fresheners. This ingredient matters because it helps create naturalistic green accords without relying on plant-derived materials, offering consistent quality and sustainability benefits over natural alternatives.
Safety Profile
GENERALLY SAFEWhat Does Isophytyl acetate Smell Like?
Isophytyl acetate presents a crisp, green opening reminiscent of freshly crushed leaves with a subtle waxy undertone. The initial burst evolves into a clean floralcy akin to lily-of-the-valley, though more transparent and less sweet. As it dries down, it reveals a delicate woody-musky character that adds depth without heaviness. The overall effect is airy and diffusive, like walking through a sunlit greenhouse where cut stems mingle with potted herbs.
2D Molecular Structure
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(OC(C)=O)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Isophytyl acetate is a synthetic ester derived from phytol, a diterpene alcohol. While phytol occurs naturally in chlorophyll, commercial isophytyl acetate is typically produced through esterification of synthetic phytol with acetic acid. The molecule features a long hydrocarbon chain with multiple double bonds, contributing to its green character. Unlike many green notes, it lacks the harshness of pyrazines or the sweetness of hexenyl esters, occupying a unique middle ground.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Estimated >250°C |
| Density | Approx. 0.89-0.92 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Green modifier |
| Functional Fragrance | 0.1-1% | Up to 2% | Freshness booster |
| Personal Care | 0.2-1.5% | Up to 3% | Shower gel applications |
Classic Accords
Tip: Use to bridge citrus top notes to floral heart notes in fresh compositions.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
Not currently evaluated by RIFM due to low volume of use.
Sustainability
As a synthetic material, isophytyl acetate offers advantages over plant-derived green notes by avoiding agricultural land use and seasonal variability. Production typically uses petrochemical feedstocks, though bio-based routes may become viable as green chemistry advances. The material’s moderate persistence reduces aquatic toxicity concerns compared to more persistent musks or woody ambers.
Explore Isophytyl acetate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Physicochemical Properties
DTXSID: DTXSID00973967
Physical Properties
| Molecular Weight | 338.576 g/mol🔬 EPA CompTox |
| Density | 0.829 g/cm^3📊 OPERA |
| Boiling Point | 372.221 °C📊 OPERA |
| Melting Point | -6.538 °C📊 OPERA |
| Flash Point | 167.266 °C📊 OPERA |
| Refractive Index | 1.451 Dimensionless📊 OPERA |
| Molar Volume | 391.438 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 8.748 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 8.748 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 8.748 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.65 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 8.252 cP📊 OPERA |
| Surface Tension | 27.913 dyn/cm📊 OPERA |
| Thermal Conductivity | 131.087 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 | 14 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 105.314 cm^3/mol📊 OPERA |
| Polarizability | 41.75 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.
