Triethyl citrate (CAS 77-93-0) — Citrus Base Note Fragrance Ingredient
Triethyl citrate
CAS 77-93-0
What Is Triethyl citrate?
Triethyl citrate is a synthetic ester used as a plasticizer and solvent in food packaging, cosmetics, and fragrances. It’s found in nail polishes, hairsprays, and some perfumes. This ingredient matters because it’s considered safer than many phthalates, offering a non-toxic alternative with mild odor characteristics.
Safety Profile
GENERALLY SAFEWhat Does Triethyl citrate Smell Like?
Triethyl citrate presents a faint, slightly sweet, citrus-like odor reminiscent of weak lemon candy. The scent profile is linear without significant evolution – what you smell initially persists throughout. It lacks the complexity of natural citrus oils, offering instead a clean, laboratory-pure impression that serves more as a carrier than a featured note.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a solvent and fixative to maintain the laundry-fresh accord without adding significant odor of its own.
2D Molecular Structure
SMILES: CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Triethyl citrate is the triethyl ester of citric acid. As a synthetic compound, it’s produced by esterification of citric acid with ethanol. The molecule features three ester groups attached to a central citrate backbone, giving it both polar and non-polar characteristics that contribute to its solvent properties.
Physical & Chemical Properties
| Boiling Point | 294 °C |
|---|---|
| Density | 1.136 g/cm³ |
| Flash Point | 155 °C |
| Vapor Pressure | 0.0001 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Plasticizer | 10-30% | Up to 50% | In polymer formulations |
| Cosmetics | 1-5% | Up to 10% | As solvent/carrier |
| Fragrances | 0.5-2% | Up to 5% | Fixative properties |
Classic Accords
Tip: Use as a non-volatile solvent for difficult-to-dissolve materials.
Alternatives & Comparisons
When higher volatility is needed, this acetylated version offers similar safety profile with slightly different solvent characteristics.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA. Listed as safe for use in all categories.
RIFM Assessment
RIFM has evaluated triethyl citrate and found no significant safety concerns at current usage levels.
Sustainability
As a synthetic material, triethyl citrate avoids agricultural impacts but requires industrial production. Its biodegradability and low toxicity make it an environmentally preferred plasticizer compared to persistent organic pollutants.
Explore Triethyl citrate
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References
- PubChem Compound Summary for Triethyl citrate CID 6506
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID0040701
Physical Properties
| Molecular Weight | 276.285 g/mol🔬 EPA CompTox |
| Density | 1.13 g/cm^3🔬 EPA CTX |
| Boiling Point | 292.56 °C🔬 EPA CTX |
| Melting Point | -53.714 °C🔬 EPA CTX |
| Flash Point | 161.333 °C🔬 EPA CTX |
| Refractive Index | 1.462 Dimensionless📊 OPERA |
| Molar Volume | 234.617 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.71 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.797 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.446 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.07 Log10 unitless📊 OPERA |
| Water Solubility | 0.237 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg🔬 EPA CTX |
| Viscosity | 6.501 cP📊 OPERA |
| Surface Tension | 38.539 dyn/cm📊 OPERA |
| Thermal Conductivity | 158.874 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 99.13 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 7 count💻 Computed |
| Rotatable Bonds | 8 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 64.468 cm^3/mol📊 OPERA |
| Polarizability | 25.557 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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