Diethyldimethylcyclohex-2-en-1-one (CAS 68845-36-3) — Woody Base Note Fragrance Ingredient

ByThe Good Scents
Woody · Sweet

Diethyldimethylcyclohex-2-en-1-one

CAS 68845-36-3

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

What Is Diethyldimethylcyclohex-2-en-1-one?

Diethyldimethylcyclohex-2-en-1-one is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes woody, slightly fruity nuances to fragrances. This compound is valued for its stability and ability to enhance other notes without overpowering them.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Check for skin sensitivity
CAS
68845-36-3
Formula
Mixture
MW
Variable
Odor Family
Woody · Sweet
Layer 1 · Enthusiast

What Does Diethyldimethylcyclohex-2-en-1-one Smell Like?

Diethyldimethylcyclohex-2-en-1-one offers a subtle woody aroma with hints of ripe fruit, reminiscent of a sun-warmed cedar chest. The scent evolves from a crisp initial impression to a smoother, more rounded character over time, blending seamlessly with other notes.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Layer 2

2D Molecular Structure

Diethyldimethylcyclohex-2-en-1-one

SMILES: CCC1C(C)CC(=O)C(C)=C1CC

Chemistry, Properties & Perfumer Guide

The Chemistry

Diethyldimethylcyclohex-2-en-1-one is a synthetic ketone used in fragrance compositions. Its structure allows for stability and consistent performance in various formulations. The compound is typically synthesized through controlled organic reactions to ensure purity and desired olfactory characteristics.

Physical & Chemical Properties

Perfumer Guide

Note Position
Base
Volatility
Low
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-5%Up to 10%Adds woody depth
Personal Care0.5-3%Up to 5%Subtle enhancement

Classic Accords

Tip: Use to add woody depth without overpowering delicate notes.

Alternatives & Comparisons

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No current IFRA restrictions.

RIFM Assessment

RIFM assessment pending.

Sustainability

Synthetic production ensures consistent quality and reduces reliance on natural resources. The manufacturing process is optimized to minimize environmental impact.

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References

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

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    Ingredient Data Sheet

    CAS 68845-36-3

    Physical Properties

    Molecular Weight180.29 g/mol🔬 PubChem
    LogP (Octanol-Water)2.9🔬 PubChem
    Boiling Point238 °C🔬 EPA CompTox
    Vapor Pressure0.0759 mmHg @ 25°C📊 OPERA
    Flash Point111.3 °C🔬 EPA CompTox
    Involatility Index0.0061💻 Calculated
    log Kp (skin permeability)-1.741💻 Calculated
    SMILESCCC1C(CC(=O)C(=C1CC)C)C🔬 PubChem

    Volatility & Performance

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

    Odor & Flavor

    Primary Descriptorssweetwoody• leffingwell
    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: DTXSID9052424

    Physical Properties

    Molecular Weight 180.291 g/mol🔬 EPA CompTox
    Density 0.889 g/cm^3📊 OPERA
    Boiling Point 245.832 °C📊 OPERA
    Melting Point 36.045 °C📊 OPERA
    Flash Point 103.72 °C📊 OPERA
    Refractive Index 1.448 Dimensionless📊 OPERA
    Molar Volume 207.357 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 3.655 Log10 unitless📊 OPERA
    LogD (pH 5.5) 3.655 Log10 unitless📊 OPERA
    LogD (pH 7.4) 3.655 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.77 Log10 unitless📊 OPERA
    Water Solubility 0.002 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.04 mmHg📊 OPERA
    Surface Tension 29.023 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 2 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 55.466 cm^3/mol📊 OPERA
    Polarizability 21.988 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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