Methyl p-methylbenzoate (CAS 99-75-2) — Sweet Middle Note Fragrance Ingredient
Methyl p-methylbenzoate
CAS 99-75-2
What Is Methyl p-methylbenzoate?
Methyl p-methylbenzoate is a synthetic fragrance ingredient with a sweet, floral, and slightly fruity aroma. It’s commonly found in perfumes, soaps, and detergents, where it contributes to fresh, clean scent profiles. This ester compound helps perfumers create long-lasting floral bouquets by adding a subtle powdery nuance that blends well with other ingredients.
Safety Profile
GENERALLY SAFEWhat Does Methyl p-methylbenzoate Smell Like?
Methyl p-methylbenzoate opens with a crisp, slightly medicinal top note reminiscent of cherry blossoms and almond paste. As it develops, the heart reveals a delicate floralcy akin to mimosa and heliotrope, with a powdery sweetness that suggests vanilla pods. The dry-down is soft and persistent, leaving a clean musk-like trace that blends beautifully with woody notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a supporting floral modifier to enhance the powdery aspects of the aldehydic bouquet and provide subtle sweetness to the ylang-ylang and rose heart.
Contributes to the soft floral-powdery character that defines this classic, working in harmony with carnation and sandalwood notes.
2D Molecular Structure
SMILES: COC(=O)C1=CC=C(C)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl p-methylbenzoate is an ester derived from p-toluic acid and methanol. This aromatic ester is produced industrially via acid-catalyzed esterification. The methyl group at the para position provides steric hindrance that influences its volatility and tenacity in fragrance compositions. While not found widely in nature, related benzoate esters occur in some floral absolutes.
Physical & Chemical Properties
| Boiling Point | 225-227 °C |
|---|---|
| Density | 1.06 g/cm³ |
| Refractive Index | 1.512-1.514 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral bouquet enhancer |
| Soaps | 0.5-1% | Up to 2% | Provides clean floral character |
Classic Accords
Tip: Use as a bridge between bright top notes and deeper base materials to create seamless transitions.
Alternatives & Comparisons
More straightforward floral-fruity character without the powdery nuance, useful when cleaner floral effects are desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels.
Sustainability
As a synthetic material, methyl p-methylbenzoate has consistent quality and doesn’t require agricultural resources. Modern production methods minimize waste and energy use through efficient catalysis and solvent recovery systems.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 99-75-2Physical Properties
| Molecular Weight | 150.17 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.7🔬 PubChem |
| Boiling Point | 217.2 °C🔬 EPA CompTox |
| Vapor Pressure | 0.16 mmHg @ 25°C📊 OPERA |
| Flash Point | 95.6 °C🔬 EPA CompTox |
| Involatility Index | 0.0141💻 Calculated |
| log Kp (skin permeability) | -1.699💻 Calculated |
| SMILES | CC1=CC=C(C=C1)C(=O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 1.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfruitysweet• 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: DTXSID4025668
Physical Properties
| Molecular Weight | 150.177 g/mol🔬 EPA CompTox |
| Density | 1.059 g/cm^3🔬 EPA CTX |
| Boiling Point | 221.032 °C🔬 EPA CTX |
| Melting Point | 33.524 °C🔬 EPA CTX |
| Flash Point | 91.971 °C🔬 EPA CTX |
| Refractive Index | 1.509 Dimensionless📊 OPERA |
| Molar Volume | 143.601 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.713 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.711 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.711 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.82 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.16 mmHg🔬 EPA CTX |
| Viscosity | 2.303 cP📊 OPERA |
| Surface Tension | 34.846 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.119 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 | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 42.851 cm^3/mol📊 OPERA |
| Polarizability | 16.987 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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