1-Penten-3-one, 1-(4,6-dimethyl-3-cyclohexen-1-yl)-2-methyl-, (1E) (CAS 2248118-60-5) — Green Top to middle Note Fragrance Ingredient

ByThe Good Scents
Green · Woody

1-Penten-3-one, 1-(4,6-dimethyl-3-cyclohexen-1-yl)-2-methyl-, (1E)

CAS 2248118-60-5

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

What Is 1-Penten-3-one, 1-(4,6-dimethyl-3-cyclohexen-1-yl)-2-methyl-, (1E)?

1-Penten-3-one, 1-(4,6-dimethyl-3-cyclohexen-1-yl)-2-methyl-, (1E) is a synthetic fragrance ingredient used in modern perfumery. It’s found in niche and experimental fragrances. This molecule contributes unique olfactory characteristics that help perfumers create distinctive scent profiles.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Safe in regulated concentrations
⚠ Limited safety data available
CAS
2248118-60-5
Formula
Mixture
MW
Variable
Odor Family
Green · Woody
Layer 1 · Enthusiast

What Does 1-Penten-3-one, 1-(4,6-dimethyl-3-cyclohexen-1-yl)-2-methyl-, (1E) Smell Like?

This molecule offers a complex olfactory profile with sharp, green top notes that evolve into a woody, slightly fruity heart. The dry-down reveals subtle balsamic undertones with a lingering spicy warmth. Its character is reminiscent of crushed leaves with a hint of unripe berries, providing a modern twist on classic green accords.

Scent Profile
Layer 2

2D Molecular Structure

(1E)-1-(4,6-Dimethyl-3-cyclohexen-1-yl)-2-methyl-1-penten-3-one

SMILES: CCC(=O)C(\C)=C\C1CC=C(C)CC1C

Chemistry, Properties & Perfumer Guide

The Chemistry

1-Penten-3-one, 1-(4,6-dimethyl-3-cyclohexen-1-yl)-2-methyl-, (1E) is a synthetic ketone derivative with a complex cyclic structure. Its synthesis typically involves catalytic cyclization of appropriate precursors followed by selective oxidation. The (1E) designation indicates the specific geometric isomerism of the double bond, which significantly impacts its odor characteristics.

Physical & Chemical Properties

Perfumer Guide

Note Position
Top to middle
Volatility
Medium (1-3 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Used as a green-modifier
Functional Fragrance0.1-1%Up to 2%Adds freshness

Classic Accords

Tip: Use in trace amounts to add complexity to green and woody compositions.

Alternatives & Comparisons

1
Stemone CAS 65405-77-8

Provides similar green character with better stability in formulations.

2
Verdox CAS 88-41-5

Offers comparable woody-green notes with higher substantivity.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No specific IFRA restrictions currently apply.

RIFM Assessment

Limited safety assessment available. Use with caution until further studies are completed.

Sustainability

As a synthetic material, this ingredient avoids natural resource depletion concerns. However, its production requires careful management of chemical precursors and energy inputs. Future green chemistry approaches may improve its environmental footprint.

Explore 1-Penten-3-one, 1-(4,6-dimethyl-3-cyclohexen-1-yl)-2-methyl-, (1E)

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References

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

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    Physicochemical Properties

    DTXSID: DTXSID101373039

    Physical Properties

    Molecular Weight 206.329 g/mol🔬 EPA CompTox
    Density 0.92 g/cm^3📊 OPERA
    Boiling Point 282.376 °C📊 OPERA
    Melting Point 35.377 °C📊 OPERA
    Flash Point 120.124 °C📊 OPERA
    Refractive Index 1.514 Dimensionless📊 OPERA
    Molar Volume 220.051 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 4.156 Log10 unitless📊 OPERA
    LogD (pH 5.5) 4.156 Log10 unitless📊 OPERA
    LogD (pH 7.4) 4.156 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 7.06 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.058 mmHg📊 OPERA
    Surface Tension 32.921 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 3 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 66.203 cm^3/mol📊 OPERA
    Polarizability 26.245 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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