Acetyl triethyl citrate (CAS 77-89-4) — Citrus Fixative Note Fragrance Ingredient
Acetyl triethyl citrate
CAS 77-89-4
What Is Acetyl triethyl citrate?
Acetyl triethyl citrate is a synthetic ingredient primarily used as a fixative and solvent in perfumery. You’ll encounter it in fine fragrances and personal care products where it helps extend scent longevity. This versatile compound matters because it stabilizes volatile fragrance components without adding its own odor, allowing perfumers to create long-lasting scents that remain true to their original composition.
Safety Profile
GENERALLY SAFEWhat Does Acetyl triethyl citrate Smell Like?
Acetyl triethyl citrate is nearly odorless, with just a faint, clean, slightly citrus-tinged character when pure. Its true value lies in its ability to modulate other scents rather than contribute its own profile. The material acts as an invisible scaffold, binding fragrance molecules and slowing their evaporation. Over time, it reveals a subtle waxy-citric dryness that never dominates but subtly rounds out sharp edges in fragrance compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fixative to prolong the bright floral bouquet and sandalwood base, allowing the fragrance to maintain its crisp character throughout wear.
Helps stabilize the delicate white flowers and green notes, preventing top notes from fading too quickly while maintaining scent integrity.
2D Molecular Structure
SMILES: CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Acetyl triethyl citrate is an ester formed by the reaction of citric acid with ethanol followed by acetylation. This triester structure gives it excellent solvent properties for many fragrance materials while remaining water-soluble enough for cosmetic applications. Industrially produced through esterification processes, its molecular architecture allows it to form weak bonds with various fragrance compounds, slowing their release without chemical modification.
Physical & Chemical Properties
| Boiling Point | 132 °C at 0.5 mmHg |
|---|---|
| Flash Point | >110 °C |
| Density | 1.136 g/cm³ at 20°C |
| Refractive Index | 1.438-1.442 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | As a fixative and solvent |
| Personal Care | 1-3% | Up to 5% | For scent longevity in lotions/creams |
Classic Accords
Tip: Use as a replacement for DEP in fragrance bases where a non-phthalate solvent is preferred.
Alternatives & Comparisons
The non-acetylated version with slightly different solubility properties, often used when less lipophilic character is desired.
Another common fixative with more pronounced sweet-balsamic character that also functions as a solvent.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Listed as safe for all applications.
RIFM Assessment
RIFM assessment confirms safety at current usage levels in fragrances.
Sustainability
As a synthetic material, acetyl triethyl citrate has consistent quality without natural sourcing variations. Its production from citric acid (fermentation-derived) and ethanol (potentially bio-based) allows for renewable feedstock options. Biodegradability makes it environmentally preferable to many other synthetic fixatives.
Explore Acetyl triethyl citrate
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References
- Fiume et al. (2014). Safety Assessment of Acetyl Triethyl Citrate as Used in Cosmetics. International Journal of Toxicology. PMID 24436162
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5044576
Physical Properties
| Molecular Weight | 318.322 g/mol🔬 EPA CompTox |
| Density | 1.135 g/cm^3🔬 EPA CTX |
| Boiling Point | 316.41 °C📊 OPERA |
| Melting Point | -43 °C🔬 EPA CTX |
| Flash Point | 188 °C🔬 EPA CTX |
| Refractive Index | 1.453 Dimensionless📊 OPERA |
| Molar Volume | 273.607 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.34 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.902 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.902 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.88 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 1.164 cP📊 OPERA |
| Surface Tension | 36.631 dyn/cm📊 OPERA |
| Thermal Conductivity | 151.211 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 105.2 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 8 count💻 Computed |
| Rotatable Bonds | 9 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 73.974 cm^3/mol📊 OPERA |
| Polarizability | 29.326 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.
