Thiogeraniol (CAS 39067-80-6) — Floral Heart to base Note Fragrance Ingredient
Thiogeraniol
CAS 39067-80-6
What Is Thiogeraniol?
Thiogeraniol is a synthetic fragrance compound used to enhance floral and fruity notes in perfumes and scented products. You’ll encounter it in high-end perfumes and body care items where a tropical, exotic character is desired. This sulfur-containing molecule matters because it adds a unique twist to traditional floral scents, creating more complex and long-lasting fragrance experiences. Its subtle sulfurous edge makes it particularly valuable for modern perfumery seeking depth without overpowering sweetness.
Safety Profile
USE WITH AWARENESSWhat Does Thiogeraniol Smell Like?
Thiogeraniol opens with a burst of tropical passionfruit and ripe mango, wrapped in a gauzy floral veil reminiscent of night-blooming jasmine. The sulfur character manifests as a warm, skin-like musk rather than overt sulfuraceousness. As it evolves, the heart reveals lush gardenia petals dipped in honey, with a subtle green stemminess that prevents cloying sweetness. The dry-down is remarkably persistent, leaving a trail of ambergris-like warmth with whispers of blackcurrant buds. Unlike regular geraniol, this thio variant has superior tenacity and a more animalic, pheromonic quality that blooms on skin.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the dark floralcy, adding a narcotic tropical twist to the black truffle accord. The sulfur facet bridges the gap between the chocolatey base and floral heart.
Provides the elusive ‘dirty’ facet that makes this gourmand revolutionary. Complements the ethyl maltol with a human-skin realism.
The thio-geraniol works with honey notes to create Poison’s signature narcotic floral effect, making white flowers smell almost overripe and dangerous.
Adds dimensionality to the candied floral bouquet, preventing it from becoming too simplistic. The sulfurous edge reads as expensive musk.
2D Molecular Structure
SMILES: CC(C)=CCC\C(C)=C\CS
Chemistry, Properties & Perfumer Guide
The Chemistry
Thiogeraniol belongs to the thio-terpenoid class, featuring a sulfur atom replacing oxygen in the geraniol structure. This modification dramatically alters both odor profile and substantivity. Industrially produced via nucleophilic substitution of geraniol derivatives with sulfur sources like hydrogen sulfide or thiols. The thioether linkage confers greater stability against oxidation compared to parent geraniol. While no natural occurrence has been confirmed, its structure suggests possible biogenic origins through plant sulfur metabolism pathways. The molecule exists as a mixture of cis/trans isomers, with the trans form generally considered more odoriferous.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~250 °C (estimated) |
| Density | ~0.95 g/cm³ (estimated) |
| Solubility | Soluble in alcohol, oils; insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Powerful modifier rather than main note |
| Body Care | 0.1-0.5% | Up to 1% | Use sparingly due to tenacity |
| Functional Products | 0.01-0.1% | Up to 0.3% | Masking agent for sulfurous bases |
Classic Accords
Tip: Balance with clean musks like Galaxolide to prevent the sulfur character from becoming too prominent.
Alternatives & Comparisons
More aggressive sulfur character for fragrances needing a raw, edgy quality. Use when Thiogeraniol’s floralcy interferes with the desired effect.
For formulations requiring a cleaner rose-citrus profile without sulfurous nuances. Lacks the tenacity and depth of the thio variant.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under current IFRA standards (as of 49th Amendment). Classified as a sulfur compound requiring general precautions.
GHS Classification
RIFM Assessment
Under evaluation by RIFM. Preliminary data suggests similar sensitization potential to other thio-terpenoids.
Sustainability
As a synthetic material, Thiogeraniol’s environmental impact depends on manufacturing processes. Modern catalytic methods have reduced heavy metal use in thioether production. Not biodegradable but used at very low levels. Offers an alternative to harvesting rare botanical materials with similar olfactory effects.
Explore Thiogeraniol
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Brenna et al. (2002). Sulfur Compounds in Fragrance Chemistry. Flavour and Fragrance Journal. DOI:10.1002/ffj.1090
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID3052064
Physical Properties
| Molecular Weight | 170.31 g/mol🔬 EPA CompTox |
| Density | 0.883 g/cm^3📊 OPERA |
| Boiling Point | 238.093 °C📊 OPERA |
| Melting Point | -55.456 °C📊 OPERA |
| Flash Point | 86.433 °C📊 OPERA |
| Refractive Index | 1.488 Dimensionless📊 OPERA |
| Molar Volume | 194.483 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.241 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.241 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.24 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.05 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.147 mmHg📊 OPERA |
| Viscosity | 1.467 cP📊 OPERA |
| Surface Tension | 26.37 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 56.075 cm^3/mol📊 OPERA |
| Polarizability | 22.23 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.
