Methyl 2-(nonylideneamino)benzoate (CAS 72894-12-3) — Woody Middle to base Note Fragrance Ingredient
Methyl 2-(nonylideneamino)benzoate
CAS 72894-12-3
What Is Methyl 2-(nonylideneamino)benzoate?
Methyl 2-(nonylideneamino)benzoate is a synthetic fragrance ingredient used in perfumery to add unique olfactory characteristics. It’s found in niche fragrances and some specialty personal care products. This molecule is valued for its ability to contribute complex, long-lasting notes that evolve beautifully on skin, making it a favorite among perfumers crafting sophisticated accords.
Safety Profile
USE WITH AWARENESSWhat Does Methyl 2-(nonylideneamino)benzoate Smell Like?
Methyl 2-(nonylideneamino)benzoate opens with a sharp, almost metallic greenness that quickly unfolds into a warm, ambery character. As it dries down, it reveals a leathery depth with hints of dried tobacco and a subtle animalic undertone. The evolution is slow and deliberate, ending in a powdery-woody base that lingers close to the skin.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to create an unconventional gourmand effect, pairing with honey and lemon to form a scent that’s both edible and mysterious.
Employed as a modern green note that bridges classic galbanum with futuristic metallic accents in this avant-garde composition.
2D Molecular Structure
SMILES: CCCCCCCCC=NC1=C(C=CC=C1)C(=O)OC
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl 2-(nonylideneamino)benzoate belongs to the Schiff base class of compounds, formed through condensation reactions between aldehydes and amines. The nonylidene side chain provides hydrophobicity while the methyl benzoate moiety contributes aromatic character. This synthetic molecule is typically produced under controlled conditions to ensure purity and consistent olfactory performance.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Solubility | Soluble in alcohol, insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as a modifier and fixative |
| Personal Care | 0.1-0.5% | Up to 1% | Limited use in leave-on products |
Classic Accords
Tip: Use sparingly to add complexity without dominating the composition.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. No specific usage limits established.
RIFM Assessment
Under evaluation by RIFM. Preliminary data suggests low sensitization potential.
Sustainability
As a synthetic material, production is controlled with minimal environmental impact. No natural resources are depleted in its manufacture, and the synthesis can be optimized for atom economy.
Explore Methyl 2-(nonylideneamino)benzoate
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References
- IFRA Standards Library (2023). Restricted Materials List. IFRA Standards
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 72894-12-3Physical Properties
| Molecular Weight | 275.4 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5🔬 PubChem |
| Boiling Point | 307 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 152.4 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.83💻 Calculated |
| SMILES | CCCCCCCCC=NC1=CC=CC=C1C(=O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 13.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| 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: DTXSID1072630
Physical Properties
| Molecular Weight | 275.392 g/mol🔬 EPA CompTox |
| Density | 1.045 g/cm^3📊 OPERA |
| Boiling Point | 353.622 °C📊 OPERA |
| Melting Point | 40.949 °C📊 OPERA |
| Flash Point | 165.196 °C📊 OPERA |
| Refractive Index | 1.497 Dimensionless📊 OPERA |
| Molar Volume | 284.533 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.257 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.054 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.252 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 | 33.686 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 | 9 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 83.27 cm^3/mol📊 OPERA |
| Polarizability | 33.011 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.
