Methyl 2-[(phenylmethylene)amino]benzoate (CAS 39129-16-3) — Sweet Middle Note Fragrance Ingredient
Methyl 2-[(phenylmethylene)amino]benzoate
CAS 39129-16-3
What Is Methyl 2-[(phenylmethylene)amino]benzoate?
Methyl 2-[(phenylmethylene)amino]benzoate is a synthetic fragrance ingredient primarily used in perfumery. While not commonly encountered in everyday products, it may appear in niche or artisanal fragrances. This compound contributes unique olfactory characteristics that are valued by perfumers for creating distinctive scent profiles.
Safety Profile
USE WITH AWARENESSWhat Does Methyl 2-[(phenylmethylene)amino]benzoate Smell Like?
Methyl 2-[(phenylmethylene)amino]benzoate offers a complex olfactory profile with a blend of aromatic and slightly floral nuances. Initially, it presents a sharp, almost metallic top note that quickly evolves into a warmer, honeyed character. The dry-down reveals a subtle powdery quality, reminiscent of vintage perfumes, with a lingering sweetness that adds depth to fragrance compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a unique modifier to add depth and complexity to floral and oriental compositions, enhancing their longevity and creating a distinctive signature.
2D Molecular Structure
SMILES: COC(=O)C1=C(C=CC=C1)N=CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl 2-[(phenylmethylene)amino]benzoate is a synthetic ester derivative, characterized by its aromatic and imine functional groups. It is synthesized through the condensation of methyl anthranilate with benzaldehyde, followed by esterification. The compound’s structure allows for versatile interactions with other fragrance molecules, contributing to its unique scent profile.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds complexity and depth |
Classic Accords
Tip: Use sparingly to avoid overpowering other notes.
Alternatives & Comparisons
A more common ester with similar floral and fruity characteristics, often used as a substitute in formulations requiring a lighter touch.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply.
RIFM Assessment
Limited safety assessment data available; use with caution.
Sustainability
As a synthetic ingredient, its environmental impact is primarily associated with the manufacturing process. Sustainable practices in production and disposal are recommended to minimize ecological footprint.
Explore Methyl 2-[(phenylmethylene)amino]benzoate
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References
- PubChem Compound Summary for Methyl 2-[(phenylmethylene)amino]benzoate PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID201349087
Physical Properties
| Molecular Weight | 239.274 g/mol🔬 EPA CompTox |
| Density | 1.131 g/cm^3📊 OPERA |
| Boiling Point | 356.584 °C📊 OPERA |
| Melting Point | 103.584 °C📊 OPERA |
| Flash Point | 181.682 °C📊 OPERA |
| Refractive Index | 1.551 Dimensionless📊 OPERA |
| Molar Volume | 224.691 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.219 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.207 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.219 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.45 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 | 38.855 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 38.66 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 71.687 cm^3/mol📊 OPERA |
| Polarizability | 28.419 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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