Trichloromethyl phenyl carbinyl acetate (CAS 90-17-5) — Woody Base Note Fragrance Ingredient
Trichloromethyl phenyl carbinyl acetate
CAS 90-17-5
What Is Trichloromethyl phenyl carbinyl acetate?
Trichloromethyl phenyl carbinyl acetate is a synthetic fragrance ingredient used in perfumes and scented products. It imparts a unique, long-lasting character to fragrances. This compound matters because it offers perfumers a stable, versatile note that can enhance both floral and woody compositions, creating depth and persistence.
Safety Profile
USE WITH AWARENESSWhat Does Trichloromethyl phenyl carbinyl acetate Smell Like?
Trichloromethyl phenyl carbinyl acetate opens with a sharp, almost medicinal edge that quickly mellows into a rich, woody sweetness. Imagine the first whiff of a vintage apothecary cabinet—camphoraceous and slightly metallic—that gradually reveals a velvety, amber-like core. Over hours, it settles into a skin-like musk with whispers of antique parchment and dried rose petals. The dry-down is remarkably tenacious, leaving a trail that feels both nostalgic and modern.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to recreate the olfactory patina of aged leather books, blending with birch tar and labdanum for a haunting library accord.
Provides a warm, diffusive base that amplifies the amber accord while adding structural rigidity to prevent sweetness overload.
2D Molecular Structure
SMILES: CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl
Chemistry, Properties & Perfumer Guide
The Chemistry
This synthetic ester belongs to the family of chlorinated aromatic compounds. Industrial synthesis typically involves the acetylation of trichloromethyl phenyl carbinol under acidic conditions. The chlorine atoms introduce significant electron withdrawal, making the ester bond more resistant to hydrolysis than typical acetates. This explains both its stability in formulations and its distinctive olfactory profile.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~250°C (estimated) |
| Density | ~1.25 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 3% | Used as a fixative |
| Functional Fragrances | 0.1-0.5% | Up to 1% | Adds persistence to detergents |
Classic Accords
Tip: Use sparingly with citrus notes to prevent harsh top notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Listed as safe up to 3% in leave-on products.
EU Allergen Declaration
Not listed in EU allergen regulation (EC) No 1223/2009.
GHS Classification
RIFM Assessment
RIFM has reviewed safety data and established an acceptable exposure level of 0.3 mg/kg/day.
Sustainability
As a synthetic material, production involves petrochemical feedstocks. No known critical environmental hazards, but chlorine content requires proper waste handling. Not biodegradable.
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References
- IFRA Standards Library, 2023 Revision IFRA
- PubChem Compound Summary for Trichloromethyl phenyl carbinyl acetate PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 90-17-5Physical Properties
| Molecular Weight | 267.5 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.5🔬 PubChem |
| Boiling Point | 288 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0129 mmHg @ 25°C📊 OPERA |
| Flash Point | 140 °C🔬 EPA CompTox |
| Involatility Index | 0.0008💻 Calculated |
| log Kp (skin permeability) | -1.847💻 Calculated |
| SMILES | CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | sweetwoody• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
Regulatory Status
| EU Annex III | Listed (restricted)⚖️ IFRA 51 |
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: DTXSID2047725
Physical Properties
| Molecular Weight | 267.53 g/mol🔬 EPA CompTox |
| Density | 0.982 g/cm^3🔬 EPA CTX |
| Boiling Point | 303.148 °C📊 OPERA |
| Melting Point | 87.714 °C🔬 EPA CTX |
| Flash Point | 140 °C🔬 EPA CTX |
| Refractive Index | 1.546 Dimensionless📊 OPERA |
| Molar Volume | 193.697 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.518 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.894 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.894 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.77 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.004 mmHg📊 OPERA |
| Viscosity | 7.545 cP📊 OPERA |
| Surface Tension | 38.954 dyn/cm📊 OPERA |
| Thermal Conductivity | 129.646 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 | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 61.359 cm^3/mol📊 OPERA |
| Polarizability | 24.325 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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