Benzoic acid, 2-.(..(.(4-methoxyphenyl)methylene.).amino.).-,methyl ester (CAS 14735-72-9) — Woody Base Note Fragrance Ingredient
Benzoic acid, 2-.(..(.(4-methoxyphenyl)methylene.).amino.).-,methyl ester
CAS 14735-72-9
What Is Benzoic acid, 2-.(..(.(4-methoxyphenyl)methylene.).amino.).-,methyl ester?
Benzoic acid derivatives are synthetic fragrance ingredients used as fixatives and modifiers in perfumes and scented products. They help stabilize volatile top notes and enhance longevity. While not a dominant scent, their presence subtly influences how other fragrance ingredients behave over time, contributing to a perfume’s overall character and performance.
Safety Profile
USE WITH AWARENESSWhat Does Benzoic acid, 2-.(..(.(4-methoxyphenyl)methylene.).amino.).-,methyl ester Smell Like?
This benzoic acid derivative presents a faint, clean sweetness with underlying woody-ambery nuances. Initially neutral, it develops a subtle powdery-musky character reminiscent of sun-warmed parchment paper. As a fixative, it doesn’t dominate but rather provides a smooth, slightly resinous foundation that helps blend sharper notes and extends their presence on skin.
2D Molecular Structure
SMILES: COC(=O)C1=C(C=CC=C1)N=CC1=CC=C(OC)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
This synthetic ester belongs to the benzoic acid derivatives class, commonly used as fragrance modifiers. The methoxyphenyl group contributes to its stability and subtle aromatic character. Industrial synthesis typically involves esterification reactions under controlled conditions. While not strongly odor-active itself, its molecular structure effectively interacts with and modulates other fragrance components.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow crystalline solid |
|---|---|
| Solubility | Slightly soluble in water, soluble in alcohol and oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as fixative and modifier |
| Functional Fragrances | 0.1-1% | Up to 3% | Stabilizes scent in detergents |
Classic Accords
Tip: Use sparingly to avoid dulling brighter top notes while benefiting from its fixative properties.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General guidelines for benzoic acid derivatives apply.
GHS Classification
RIFM Assessment
RIFM has evaluated related benzoic acid esters as safe in current usage levels.
Sustainability
As a synthetic ingredient, its environmental impact depends on manufacturing processes. Modern production methods aim to minimize waste and energy use. Being used in small quantities, its overall ecological footprint is relatively low compared to dominant fragrance materials.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 14735-72-9Physical Properties
| Molecular Weight | 269.29 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 355 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 198.1 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.213💻 Calculated |
| SMILES | COC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 11.7 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | esteretheraromatic💻 RDKit |
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: DTXSID4065812
Physical Properties
| Molecular Weight | 269.3 g/mol🔬 EPA CompTox |
| Density | 1.147 g/cm^3📊 OPERA |
| Boiling Point | 386.079 °C📊 OPERA |
| Melting Point | 78.252 °C📊 OPERA |
| Flash Point | 188.308 °C📊 OPERA |
| Refractive Index | 1.542 Dimensionless📊 OPERA |
| Molar Volume | 246.416 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.41 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.381 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.409 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.88 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 |
| Surface Tension | 37.86 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 47.89 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 77.5 cm^3/mol📊 OPERA |
| Polarizability | 30.723 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.
