o-(Methylthio)-phenol (CAS 1073-29-6) — Balsamic Middle to base Note Fragrance Ingredient
o-(Methylthio)-phenol
CAS 1073-29-6
What Is o-(Methylthio)-phenol?
o-(Methylthio)-phenol is a synthetic fragrance compound used in perfumery for its distinctive sulfurous, smoky character. It’s found in trace amounts in some niche fragrances seeking a leathery or burnt rubber effect. This ingredient matters because it provides perfumers with a powerful tool for creating unconventional, edgy accords that push beyond traditional floral or citrus compositions.
Safety Profile
PROFESSIONAL USEWhat Does o-(Methylthio)-phenol Smell Like?
o-(Methylthio)-phenol delivers an intense, polarizing aroma that evolves dramatically. The initial burst is aggressively sulfurous – think struck matches and hot asphalt. This settles into a heart of charred wood and blackened leather, with a disturbing similarity to burnt rubber. The dry-down reveals surprising facets: a medicinal phenolic character emerges, softened by faint whispers of smoked meat. This challenging material requires expert blending to tame its harsh edges while preserving its raw, animalic power.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used minimally to amplify the leather chypre’s dangerous edge, contributing a gunpowder-like metallic sulfur note that contrasts with the green galbanum.
Provides the burnt rubber and hashish illusion in this controversial fragrance, blending with oud and cannabis notes for an underground club atmosphere.
2D Molecular Structure
SMILES: CSC1=C(O)C=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
o-(Methylthio)-phenol belongs to the organosulfur compounds class, featuring a thioether group adjacent to a phenolic hydroxyl. The methylthio (-SCH3) substitution ortho to the phenol creates steric hindrance that influences both reactivity and odor characteristics. Industrially produced via nucleophilic aromatic substitution reactions between thiolates and halophenols, this compound demonstrates how minor structural changes (position of substitution) create dramatically different olfactory profiles compared to its para-isomer.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Not well documented |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.01-0.1% | Up to 0.5% | Extremely powerful – use sparingly |
| Functional Fragrance | Not recommended | Avoid | Too polarizing for mass-market products |
Classic Accords
Tip: Always pre-dilute to 1% or lower before incorporating into blends to avoid overwhelming other materials.
Alternatives & Comparisons
The para-isomer offers similar sulfur character but with less aggressive burnt notes, better suited for delicate compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards, but professional discretion advised due to potency.
GHS Classification
RIFM Assessment
Limited safety data available – RIFM recommends caution based on structural analogs.
Sustainability
As a synthetic material, production involves petrochemical feedstocks but at very small scale due to specialized applications. No known ecological concerns at current usage levels, though proper waste handling is essential due to phenolic nature.
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References
- Arctander S. (1969). Perfume and Flavor Chemicals. Montclair, NJ.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 1073-29-6Physical Properties
| Molecular Weight | 140.2 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.1🔬 PubChem |
| Boiling Point | 218 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.064💻 Calculated |
| SMILES | CSC1=CC=CC=C1O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | burntcaramelsmokysulfurous• leffingwell |
| Functional Groups | phenolaromatic💻 RDKit |
| “form very unpleasant and sulfuraceous odor. to yield 2: 2’-Dihydroxy-diphenyl- smokey, warm-caramellic odor of moderate disulfide.”📖 Arctander | |
Regulatory Status
| IOFI Classification | Nature Identical📖 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: DTXSID9061463
Physical Properties
| Molecular Weight | 140.2 g/mol🔬 EPA CompTox |
| Density | 1.164 g/cm^3📊 OPERA |
| Boiling Point | 218.5 °C🔬 EPA CTX |
| Melting Point | 40.629 °C📊 OPERA |
| Flash Point | 93.518 °C📊 OPERA |
| Refractive Index | 1.613 Dimensionless📊 OPERA |
| Molar Volume | 117.486 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.279 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.279 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.251 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.68 Log10 unitless📊 OPERA |
| Water Solubility | 0.029 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.071 mmHg📊 OPERA |
| Surface Tension | 44.411 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 40.92 cm^3/mol📊 OPERA |
| Polarizability | 16.222 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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