2-Furanmethanethiol formate (CAS 59020-90-5) — Sweet Top to middle Note Fragrance Ingredient

ByThe Good Scents
Sweet · Balsamic

2-Furanmethanethiol formate

CAS 59020-90-5

Origin
synthetic
Note
Top to middle
IFRA
Use with awareness
Data as of: Apr 2026

What Is 2-Furanmethanethiol formate?

2-Furanmethanethiol formate is a synthetic fragrance compound used to create rich, roasted coffee aromas in perfumes and flavored products. You’ll encounter it in gourmand fragrances and some coffee-flavored foods. This ingredient matters because it provides an ultra-realistic roasted coffee character that’s difficult to achieve with natural extracts alone.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Approved for fragrance use
⚠ Contains sulfur – may cause sensitivity
CAS
59020-90-5
Formula
Mixture
MW
Variable
Odor Family
Sweet · Balsamic
Layer 1 · Enthusiast

What Does 2-Furanmethanethiol formate Smell Like?

This molecule delivers an intensely rich, dark roasted coffee aroma with sulfurous depth. Upon application, it bursts with freshly ground espresso beans and dark chocolate nuances. As it evolves, the sulfurous edge softens into a warm, slightly caramelized coffee heart. The dry-down reveals a persistent roasted character with subtle nutty undertones, reminiscent of coffee beans cooling after roasting.

Scent Profile
Layer 2

2D Molecular Structure

Methanethioic acid, S-(2-furanylmethyl) ester

SMILES: O=CSCC1=CC=CO1

Chemistry, Properties & Perfumer Guide

The Chemistry

2-Furanmethanethiol formate belongs to the furan thioester class of sulfur-containing aroma chemicals. While not found in nature, it’s synthesized through esterification reactions of furanmethanethiol. The sulfur atom in its structure is crucial for its powerful roasted coffee character. This compound demonstrates how subtle molecular modifications can dramatically alter odor profiles in fragrance chemistry.

Physical & Chemical Properties

AppearanceColorless to pale yellow liquid
Odor ThresholdExtremely low (ppb range)

Perfumer Guide

Note Position
Top to middle
Volatility
Moderate (1-3 hours)
Blending
Good with caution
ApplicationTypical %RangeNotes
Fine Fragrance0.01-0.1%Up to 0.5%Powerful coffee modifier
Functional Fragrance0.001-0.01%Up to 0.05%Coffee flavor enhancer

Classic Accords

Tip: Use sparingly in gourmand bases – this material has extreme potency and can dominate compositions.

Alternatives & Comparisons

1
Furfuryl Mercaptan CAS 98-02-2

Similar roasted coffee character but more sulfurous and less stable in formulations.

2
2-Methyl-3-furanthiol CAS 28588-74-1

Provides meaty-roasty notes at lower concentrations, useful for savory applications.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

General reference only. Consult current IFRA Standards Library before formulating.

IFRA Status

No specific IFRA restrictions. General sulfur compound guidelines apply.

GHS Classification

H315 Skin irritation H319 Eye irritation

RIFM Assessment

Limited safety data available. Use at low concentrations recommended.

Sustainability

As a synthetic material, this compound doesn’t impact natural resources. Its extreme potency means very small quantities are needed, reducing overall environmental footprint. Manufacturing processes should follow green chemistry principles to minimize sulfur waste streams.

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References

    Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.

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    Ingredient Data Sheet

    CAS 59020-90-5

    Physical Properties

    Molecular Weight142.18 g/mol🔬 PubChem
    LogP (Octanol-Water)1.3🔬 PubChem
    Boiling Point66 °C🔬 EPA CompTox
    log Kp (skin permeability)-2.644💻 Calculated
    SMILESC1=COC(=C1)CSC=O🔬 PubChem

    Volatility & Performance

    Fragrance NoteTop💻 Calculated

    Odor & Flavor

    Functional Groupsaromatic💻 RDKit

    Regulatory Status

    IOFI ClassificationArtificial📖 Fenaroli
    Data Sources & Attribution
    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: DTXSID8069301

    Physical Properties

    Molecular Weight 142.17 g/mol🔬 EPA CompTox
    Density 1.222 g/cm^3📊 OPERA
    Boiling Point 220.983 °C📊 OPERA
    Melting Point 15.991 °C📊 OPERA
    Flash Point 92.88 °C📊 OPERA
    Refractive Index 1.536 Dimensionless📊 OPERA
    Molar Volume 116.333 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 1.727 Log10 unitless📊 OPERA
    LogD (pH 5.5) 1.727 Log10 unitless📊 OPERA
    LogD (pH 7.4) 1.727 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 4.74 Log10 unitless📊 OPERA
    Water Solubility 0.144 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.074 mmHg📊 OPERA
    Viscosity 2.371 cP📊 OPERA
    Surface Tension 42.705 dyn/cm📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 30.21 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 3 count💻 Computed
    Rotatable Bonds 3 count💻 Computed
    Aromatic Rings 1 count💻 Computed
    Molar Refractivity 36.286 cm^3/mol📊 OPERA
    Polarizability 14.385 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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