1-(5-Ethyl-5-methyl-1-cyclohexen-1-yl)-4-penten-1-one (CAS 1393645-32-3) — Woody Middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

1-(5-Ethyl-5-methyl-1-cyclohexen-1-yl)-4-penten-1-one

CAS 1393645-32-3

Origin
synthetic
Note
Middle
IFRA
Generally safe
Data as of: Apr 2026

What Is 1-(5-Ethyl-5-methyl-1-cyclohexen-1-yl)-4-penten-1-one?

This synthetic fragrance ingredient is a modern creation used by perfumers to craft unique scent profiles. While not naturally occurring, it contributes to contemporary fragrance compositions. Its importance lies in providing perfumers with novel olfactory tools to create distinctive, innovative scents that stand out in today’s crowded fragrance market.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated concentrations
⚠ Limited safety data available
CAS
1393645-32-3
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does 1-(5-Ethyl-5-methyl-1-cyclohexen-1-yl)-4-penten-1-one Smell Like?

This synthetic molecule offers a complex olfactory profile with woody-ambery undertones and subtle fruity nuances. The scent evolves from an initial fresh, slightly green character to reveal a warm, musky dry-down. Imagine the crispness of autumn leaves blending with the softness of ripe stone fruits, finishing with a sophisticated woody-amber trail that lingers delicately on the skin.

Scent Profile
Layer 2

2D Molecular Structure

1-(5-ethyl-5-methylcyclohex-1-en-1-yl)pent-4-en-1-one

SMILES: CCC1(C)CCC=C(C1)C(=O)CCC=C

Chemistry, Properties & Perfumer Guide

The Chemistry

1-(5-Ethyl-5-methyl-1-cyclohexen-1-yl)-4-penten-1-one belongs to the class of cyclic ketones with unsaturated side chains. Its structure combines a substituted cyclohexene ring with a pentenone moiety, creating a versatile fragrance building block. While specific synthesis routes are proprietary, similar compounds are typically produced through aldol condensation reactions followed by selective hydrogenation.

Physical & Chemical Properties

Perfumer Guide

Note Position
Middle
Volatility
Medium (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Used as a modifier in woody compositions
Functional Fragrance0.1-0.5%Up to 1%Adds depth to household products

Classic Accords

Tip: Use in small quantities to enhance woody accords without overpowering other ingredients.

Alternatives & Comparisons

1
Iso E Super CAS 54464-57-2

A more established woody amber with better-known performance characteristics and safety profile.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA.

RIFM Assessment

Full safety assessment pending by RIFM.

Sustainability

As a synthetic material, this ingredient avoids natural resource depletion concerns. Its environmental impact depends on manufacturing processes, which are typically optimized for efficiency in modern fragrance production facilities.

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References

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

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    Ingredient Data Sheet

    CAS 1393645-32-3

    Physical Properties

    Molecular Weight206.32 g/mol🔬 PubChem
    LogP (Octanol-Water)4.1🔬 PubChem
    Boiling Point272 °C🔬 EPA CompTox
    Vapor Pressure0.0646 mmHg @ 25°C📊 OPERA
    Flash Point115.5 °C🔬 EPA CompTox
    Involatility Index0.0048💻 Calculated
    log Kp (skin permeability)-1.048💻 Calculated
    SMILESCCC1(CCC=C(C1)C(=O)CCC=C)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score2.6 / 5💻 Calculated

    Odor & Flavor

    Functional Groupsketonealkene💻 RDKit
    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: DTXSID501372914

    Physical Properties

    Molecular Weight 206.329 g/mol🔬 EPA CompTox
    Density 0.894 g/cm^3📊 OPERA
    Boiling Point 277.552 °C📊 OPERA
    Melting Point 24.512 °C📊 OPERA
    Flash Point 115.527 °C📊 OPERA
    Refractive Index 1.47 Dimensionless📊 OPERA
    Molar Volume 229.598 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 4.227 Log10 unitless📊 OPERA
    LogD (pH 5.5) 4.227 Log10 unitless📊 OPERA
    LogD (pH 7.4) 4.227 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 7.18 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.025 mmHg📊 OPERA
    Surface Tension 31.257 dyn/cm📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 17.07 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 1 count💻 Computed
    Rotatable Bonds 5 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 64.039 cm^3/mol📊 OPERA
    Polarizability 25.387 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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