Methyl nicotinate (CAS 93-60-7) — Green Middle Note Fragrance Ingredient
Methyl nicotinate
CAS 93-60-7
What Is Methyl nicotinate?
Methyl nicotinate is a synthetic aromatic compound primarily used in fragrances and topical products. Consumers may encounter it in warming muscle rubs, niche perfumes, and some flavored tobacco products. This ingredient matters because it provides a distinctive, slightly spicy warmth that can enhance fragrance compositions. While not common in mainstream perfumery, it offers perfumers a unique tool for creating unconventional accords.
Safety Profile
USE WITH AWARENESSWhat Does Methyl nicotinate Smell Like?
Methyl nicotinate presents an intense, sharp aromatic character with pronounced tobacco-leaf nuances. The opening is piercingly green with a metallic edge, reminiscent of unripe tomato vines. As it evolves, the heart reveals warmer, hay-like tobacco notes with a subtle peppery spice. The dry-down carries a persistent woody-herbaceous quality, leaving a faint medicinal impression. The overall effect is reminiscent of sun-warmed tobacco fields with an unexpected cooling menthol-like undertone.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used sparingly to enhance the leather-tobacco accord, adding a sharp, almost medicinal edge that contrasts beautifully with the smooth vanillic base.
Provides a subtle tobacco-leaf realism beneath the honeyed amber, creating an illusion of sun-dried tobacco without overwhelming sweetness.
2D Molecular Structure
SMILES: COC(=O)C1=CN=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl nicotinate is the methyl ester of nicotinic acid (niacin). As a pyridine derivative, it features a nitrogen-containing aromatic ring structure. Industrially produced through esterification of nicotinic acid with methanol under acidic conditions. The planar structure and hydrogen bonding capacity influence both its volatility and skin penetration properties. Unlike many fragrance esters, the nitrogen heteroatom creates distinctive electronic properties that affect both odor character and chemical reactivity.
Physical & Chemical Properties
| Boiling Point | 204-205 °C |
|---|---|
| Density | 1.14 g/cm³ |
| Flash Point | 92 °C |
| Vapor Pressure | 0.03 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as accent note only |
| Functional Products | 0.5-2% | Up to 5% | In warming rubs/cosmetics |
Classic Accords
Tip: Balance carefully with sweet notes to prevent harshness – works well when sandwiched between vanillin and woody ambers.
Alternatives & Comparisons
Similar profile but slightly fruitier and less aggressive. Preferred when a softer tobacco effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards, but usage should be limited due to skin effects.
GHS Classification
RIFM Assessment
RIFM evaluation recommends keeping below 1% in leave-on products due to skin effects.
Sustainability
Synthetically produced from petrochemical precursors. No major environmental concerns in production, but energy intensive synthesis. Not known to bioaccumulate. No natural sources available commercially.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 93-60-7Physical Properties
| Molecular Weight | 137.14 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 0.8🔬 PubChem |
| Boiling Point | 209 °C🔬 EPA CompTox |
| Vapor Pressure | 0.27 mmHg @ 25°C📊 OPERA |
| Flash Point | 90.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0248💻 Calculated |
| log Kp (skin permeability) | -2.969💻 Calculated |
| SMILES | COC(=O)C1=CN=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.7 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | herbalsweettobacco• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Pungent, but very sweet, heavy odor, sweeter than that of Nitrobenzene, and not as offensive. Moderate to poor tenacity.”📖 Arctander | |
| Methyl nicotinate has a fresh, sweet, carmellic, nutty odor.📖 Fenaroli | |
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: DTXSID7044471
Physical Properties
| Molecular Weight | 137.138 g/mol🔬 EPA CompTox |
| Density | 0.897 g/cm^3🔬 EPA CTX |
| Boiling Point | 207 °C🔬 EPA CTX |
| Melting Point | 40.844 °C🔬 EPA CTX |
| Flash Point | 90.3 °C🔬 EPA CTX |
| Refractive Index | 1.511 Dimensionless📊 OPERA |
| Molar Volume | 120.55 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.816 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.835 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.836 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.43 Log10 unitless📊 OPERA |
| Water Solubility | 0.347 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.27 mmHg🔬 EPA CTX |
| Viscosity | 2.253 cP📊 OPERA |
| Surface Tension | 39.502 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.208 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 39.19 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 36.117 cm^3/mol📊 OPERA |
| Polarizability | 14.318 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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