Methyl 2-pyrrolyl ketone (CAS 1072-83-9) — Sweet Middle Note Fragrance Ingredient

ByThe Good Scents
Sweet · Woody

Methyl 2-pyrrolyl ketone

CAS 1072-83-9

Origin
synthetic
Note
Middle
IFRA
Use with awareness
Data as of: Apr 2026

What Is Methyl 2-pyrrolyl ketone?

Methyl 2-pyrrolyl ketone is a synthetic fragrance ingredient with a unique, nutty, and slightly roasted aroma. You might encounter it in gourmand perfumes, coffee-flavored products, or specialty food aromas. It’s valued for its ability to add depth to nutty, chocolate, and caramel accords, creating a warm, comforting effect in fragrances.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Safe when used in recommended concentrations
⚠ Potential skin sensitizer – patch test recommended
CAS
1072-83-9
Formula
Mixture
MW
Variable
Odor Family
Sweet · Woody
Layer 1 · Enthusiast

What Does Methyl 2-pyrrolyl ketone Smell Like?

Methyl 2-pyrrolyl ketone opens with a sharp, nutty character reminiscent of roasted peanuts or coffee beans. As it develops, it reveals a warm, slightly caramelized sweetness, akin to freshly baked bread or toasted hazelnuts. The dry-down lingers with a subtle, earthy undertone that blends seamlessly with woody or vanilla bases. Its behavior is tenacious, making it valuable for creating long-lasting gourmand effects.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Black Phantom(By Kilian, 2017)

Used here to enhance the dark gourmand theme, contributing roasted coffee and nutty nuances that complement the rum and chocolate accord.

Intoxicated(By Kilian, 2014)

Adds a rich, coffee-like depth to the spicy cardamom and cinnamon heart, creating a warm, inviting fragrance profile.

Layer 2

2D Molecular Structure

2-Acetylpyrrole

SMILES: CC(=O)C1=CC=CN1

Chemistry, Properties & Perfumer Guide

The Chemistry

Methyl 2-pyrrolyl ketone belongs to the pyrrole family of heterocyclic compounds. It is synthesized through the Friedel-Crafts acylation of pyrrole with acetyl chloride. The ketone functional group at the 2-position of the pyrrole ring contributes to its distinctive nutty-roasted odor profile. While not found in nature, it shares structural similarities with some Maillard reaction products responsible for cooked food aromas.

Physical & Chemical Properties

AppearanceColorless to pale yellow liquid
Boiling PointApprox. 200-220°C (estimated)

Perfumer Guide

Note Position
Middle
Volatility
Medium (2-4 hours)
Blending
Good with gourmand and woody notes
ApplicationTypical %RangeNotes
Fine Fragrance0.1-0.5%Up to 1%Used sparingly for nutty-roasted effects
Functional Fragrance0.01-0.1%Up to 0.2%In food-flavored products at lower doses

Classic Accords

Tip: Use in trace amounts with vanillin to create a more complex chocolate impression without overwhelming the composition.

Alternatives & Comparisons

1
2-Acetyl-1-pyrroline CAS 85213-22-5

Offers a more pronounced popcorn-like aroma at lower thresholds, useful when a lighter roasted note is desired.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No specific IFRA restrictions. General usage guidelines apply for pyrrole derivatives.

GHS Classification

H315 Skin irritation H319 Eye irritation

RIFM Assessment

RIFM has reviewed similar pyrrole derivatives but no specific assessment found for this compound. Recommended to follow general pyrrole safety guidelines.

Sustainability

As a synthetic material, Methyl 2-pyrrolyl ketone has consistent quality and doesn’t rely on agricultural production. However, its synthesis requires petrochemical feedstocks. The environmental impact is moderate compared to natural extracts but lower than some complex naturals in terms of land and water use.

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References

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

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    Ingredient Data Sheet

    CAS 1072-83-9

    Physical Properties

    Molecular Weight109.13 g/mol🔬 PubChem
    LogP (Octanol-Water)0.9🔬 PubChem
    Boiling Point220 °C🔬 EPA CompTox
    Flash Point92.4 °C🔬 EPA CompTox
    log Kp (skin permeability)-2.727💻 Calculated
    SMILESCC(=O)C1=CC=CN1🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated

    Odor & Flavor

    Primary Descriptorscherrynuttytea• leffingwell
    Functional Groupsketonearomatic💻 RDKit
    Methyl-2-pyrrolyl ketone has an odor reminiscent of bread, walnut and licorice.📖 Fenaroli

    Sensory Thresholds

    Odor Detection Threshold27.1075 ppm (n=3)📖 van Gemert

    Regulatory Status

    IOFI ClassificationNature Identical📖 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: DTXSID0047084

    Physical Properties

    Molecular Weight 109.128 g/mol🔬 EPA CompTox
    Density 1.083 g/cm^3📊 OPERA
    Boiling Point 220 °C🔬 EPA CTX
    Melting Point 89.938 °C🔬 EPA CTX
    Flash Point 92.475 °C🔬 EPA CTX
    Refractive Index 1.531 Dimensionless📊 OPERA
    Molar Volume 99.286 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 0.93 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 0.952 Log10 unitless📊 OPERA
    LogD (pH 7.4) 0.952 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 6.22 Log10 unitless📊 OPERA
    Water Solubility 0.411 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.048 mmHg📊 OPERA
    Viscosity 2.978 cP📊 OPERA
    Surface Tension 41.54 dyn/cm📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 32.86 Ų💻 Computed
    H-Bond Donors 1 count💻 Computed
    H-Bond Acceptors 1 count💻 Computed
    Rotatable Bonds 1 count💻 Computed
    Aromatic Rings 1 count💻 Computed
    Molar Refractivity 30.714 cm^3/mol📊 OPERA
    Polarizability 12.176 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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