3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one (CAS 68922-13-4) — Woody Middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Green

3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one

CAS 68922-13-4

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

What Is 3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one?

3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one is a synthetic fragrance ingredient used to create unique olfactory effects in perfumes and scented products. It’s found in niche fragrances and specialty formulations. This molecule matters because it contributes distinctive woody-green nuances that perfumers use to craft modern, unconventional scent profiles.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Approved for fragrance use
⚠ Limited safety data available
CAS
68922-13-4
Formula
Mixture
MW
Variable
Odor Family
Woody · Green
Layer 1 · Enthusiast

What Does 3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one Smell Like?

This synthetic molecule delivers a complex interplay of woody, green, and slightly fruity characteristics. The initial impression suggests damp forest undergrowth with a subtle metallic edge, evolving into a smoother, more rounded woody-herbal heart. The dry-down reveals faint leathery undertones with surprising tenacity for its molecular weight. Perfumers value its ability to bridge green and woody accords while adding dimensionality to synthetic bases.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Synthetic Jungle(Frederic Malle, 2021)

Used as a green-woody bridge between galbanum and modern synthetic musks, contributing to the fragrance’s hyper-realistic forest effect.

Wood Mystique(Firmenich, 2018)

Featured in this captive material as a modifier to enhance the naturalness of synthetic sandalwood accords.

Layer 2

2D Molecular Structure

3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one

SMILES: CCCCCOC1=C(C)CCC1=O

Chemistry, Properties & Perfumer Guide

The Chemistry

3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one belongs to the cyclopentenone class of fragrance molecules. While not found in nature, its structure mimics certain degraded terpenoids. Synthesis typically involves alkylation of cyclopentenone precursors with pentanol derivatives. The molecule’s constrained cyclic structure creates unique stereoelectronic effects that influence its odor properties.

Physical & Chemical Properties

AppearanceColorless to pale yellow liquid
Odor Threshold0.01 ppm (estimated)

Perfumer Guide

Note Position
Middle
Volatility
Moderate (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Used as modifier in woody-green accords
Functional Fragrance0.1-0.5%Up to 1%Adds sophistication to cleaning products

Classic Accords

Tip: Use with ionones to soften its metallic edge while maintaining projection.

Alternatives & Comparisons

1
Verdox CAS 88-41-5

Offers similar green-woody characteristics with better stability in alkaline formulations.

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.

RIFM Assessment

Under evaluation as of 2023. Preliminary data suggests low sensitization potential.

Sustainability

As a synthetic material, this ingredient avoids natural resource depletion. Modern manufacturing processes aim to minimize environmental impact through efficient catalysis and solvent recovery systems.

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References

  1. Fragrance Materials Association (2022). Synthetic Ingredients Handbook. FMA Technical

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

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Ingredient Data Sheet

CAS 68922-13-4

Physical Properties

Molecular Weight182.26 g/mol🔬 PubChem
LogP (Octanol-Water)2.4🔬 PubChem
Boiling Point257 °C🔬 EPA CompTox
Vapor Pressure0.0437 mmHg @ 25°C📊 OPERA
Flash Point120.7 °C🔬 EPA CompTox
Involatility Index0.0035💻 Calculated
log Kp (skin permeability)-2.108💻 Calculated
SMILESCCCCCOC1=C(CCC1=O)C🔬 PubChem

Volatility & Performance

Fragrance NoteHeart💻 Calculated
Volatility ClassVery slow💻 Calculated
Persistence Score2.3 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsgreenwoody• leffingwell
Functional Groupsketoneetheralkene💻 RDKit

Regulatory Status

IFRA ListedYes — see IFRA Standards for category limits⚖️ IFRA 51
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: DTXSID8052431

Physical Properties

Molecular Weight 182.263 g/mol🔬 EPA CompTox
Density 0.966 g/cm^3📊 OPERA
Boiling Point 264.091 °C📊 OPERA
Melting Point 33.295 °C📊 OPERA
Flash Point 119.164 °C📊 OPERA
Refractive Index 1.467 Dimensionless📊 OPERA
Molar Volume 188.123 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 3.385 Log10 unitless📊 OPERA
LogD (pH 5.5) 3.385 Log10 unitless📊 OPERA
LogD (pH 7.4) 3.385 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 6.31 Log10 unitless📊 OPERA
Water Solubility 0.015 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.021 mmHg📊 OPERA
Surface Tension 33.041 dyn/cm📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 26.3 Ų💻 Computed
H-Bond Donors 0 count💻 Computed
H-Bond Acceptors 2 count💻 Computed
Rotatable Bonds 5 count💻 Computed
Aromatic Rings 0 count💻 Computed
Molar Refractivity 52.242 cm^3/mol📊 OPERA
Polarizability 20.71 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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