Methyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate (CAS 67924-13-4) — Sweet Middle to base Note Fragrance Ingredient
Methyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate
CAS 67924-13-4
What Is Methyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate?
Methyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate is a synthetic fragrance compound primarily used in niche perfumery. Consumers may encounter it in high-end fragrances where unique, complex notes are desired. This ingredient matters because it contributes distinctive aromatic qualities that are difficult to replicate with natural materials, offering perfumers novel olfactory possibilities.
Safety Profile
USE WITH AWARENESSWhat Does Methyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate Smell Like?
This synthetic molecule offers a complex aromatic profile with a subtle interplay of benzoic and aldehyde notes. Initial impressions suggest a mildly sweet, slightly powdery character with a faintly herbal undertone. As it evolves, a delicate floral nuance emerges, reminiscent of heliotrope or mimosa, balanced by a soft woody background. The dry-down reveals a persistent, clean musk-like quality that adds depth without overwhelming.
2D Molecular Structure
SMILES: CCCCCCC(C=NC1=CC=CC=C1C(=O)OC)=CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate belongs to the Schiff base class of compounds, known for their aromatic nitrogen-carbon double bonds. While not found in nature, its structure combines elements of both benzoate esters and conjugated imines. Synthesis typically involves condensation reactions between appropriate aldehyde precursors and amino-benzoate derivatives under controlled conditions to prevent unwanted side products.
Physical & Chemical Properties
| Appearance | Not specified |
|---|---|
| Color | Not specified |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as a modifier in floral compositions |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Limited use due to cost |
Classic Accords
Tip: Use sparingly in floral bases to add complexity without dominating the composition.
Alternatives & Comparisons
Offers similar benzoate character with more pronounced grape-like notes, at lower cost.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply to this material.
RIFM Assessment
No RIFM assessment currently available for this material.
Sustainability
As a synthetic material, this compound’s environmental impact depends primarily on production methods. Being produced in controlled laboratory settings eliminates concerns about natural resource depletion, but energy use and chemical waste during synthesis should be considered. The material’s persistence in the environment has not been fully characterized.
Explore Methyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Ingredient Data Sheet
CAS 67924-13-4Physical Properties
| Molecular Weight | 349.5 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 6.5🔬 PubChem |
| Boiling Point | 366 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 182.9 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.217💻 Calculated |
| SMILES | CCCCCCC(=CC1=CC=CC=C1)C=NC2=CC=CC=C2C(=O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
Odor & Flavor
| Functional Groups | esteretheralkenearomatic💻 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: DTXSID5070860
Physical Properties
| Molecular Weight | 349.474 g/mol🔬 EPA CompTox |
| Density | 1.06 g/cm^3📊 OPERA |
| Boiling Point | 430.569 °C📊 OPERA |
| Melting Point | 82.947 °C📊 OPERA |
| Flash Point | 199.758 °C📊 OPERA |
| Refractive Index | 1.527 Dimensionless📊 OPERA |
| Molar Volume | 352.462 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 6.72 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 6.383 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 6.71 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 10.43 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 | 35.833 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 | 2 count💻 Computed |
| Molar Refractivity | 108.375 cm^3/mol📊 OPERA |
| Polarizability | 42.963 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.
![Decahydrospiro[furan-2(3H),5′-[4,7]methano[5H]indene] (CAS 68480-11-5) — Woody Base Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/decahydrospiro-furan-2-1-768x439.webp)
