delta-1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS 57378-68-4) — Woody Middle to base Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

delta-1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one

CAS 57378-68-4

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

What Is delta-1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one?

This synthetic ingredient is a specialized fragrance molecule used by perfumers to create unique woody-ambery effects. Consumers might encounter it in modern niche perfumes and some designer fragrances. It helps create depth and diffusion in compositions, contributing to the ‘velvet woods’ family of scents that bridge amber warmth with dry woody sophistication.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
⚠ Limited safety data available
⚠ Potential skin sensitizer at high concentrations
CAS
57378-68-4
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does delta-1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one Smell Like?

A powerful woody-amber molecule with remarkable tenacity. Opens with a dry, pencil-shaving cedar facet that quickly warms into a suede-like ambery glow. The dry-down reveals a sophisticated interplay between crisp wood shavings and skin-like musky warmth, reminiscent of well-worn leather bound in sandalwood. Diffusive yet refined, it adds both projection and texture to fragrances, behaving like an invisible velvet cloak around other ingredients.

Scent Profile
Layer 2

2D Molecular Structure

1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one

SMILES: CC=CC(=O)C1C(C)C=CCC1(C)C

Chemistry, Properties & Perfumer Guide

The Chemistry

This synthetic ketone belongs to the family of cyclohexenyl butenones, structurally related to damascones. The molecule features a conjugated enone system attached to a trimethylcyclohexene ring, creating both steric hindrance and electronic effects that contribute to its odor profile. Industrial synthesis typically involves aldol condensation reactions of appropriate cyclohexene derivatives with butenone precursors. The specific substitution pattern on the cyclohexene ring gives this molecule its distinctive woody-amber character compared to its floral-fruity relatives.

Physical & Chemical Properties

Perfumer Guide

Note Position
Middle to base
Volatility
Moderate (4-8 hours)
Blending
Good with woods, ambers
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 3%Used as woody-amber modifier
Home Fragrance0.1-0.5%Up to 1%For dry woody diffusion
Functional Products0.05-0.2%Up to 0.5%Limited use due to potency

Classic Accords

Tip: Use in trace amounts initially – its power increases significantly during maceration.

Alternatives & Comparisons

1
Ambroxan CAS 6790-58-5

For similar diffusion but with more ambery character and less woody dryness.

2
Norlimbanol CAS 70788-30-6

When seeking more pronounced woody dryness with less amber warmth.

3
Timberol CAS 28219-61-6

For a softer, creamier woody effect with similar tenacity.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA standards. Usage should follow general good manufacturing practices for sensitizing materials.

RIFM Assessment

No formal RIFM evaluation published as of 2023. Considered safe at current industry usage levels.

Sustainability

As a synthetic material, this ingredient doesn’t rely on natural resource extraction. Manufacturing processes follow standard petrochemical routes with typical environmental controls. Being highly potent, it has low carbon footprint per dose compared to many natural alternatives. Future green chemistry approaches may improve its synthesis efficiency.

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References

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

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    Ingredient Data Sheet

    CAS 57378-68-4

    Physical Properties

    Molecular Weight192.3 g/mol🔬 PubChem
    LogP (Octanol-Water)3.4🔬 PubChem
    Boiling Point241 °C🔬 EPA CompTox
    Vapor Pressure0.0501 mmHg @ 25°C📊 OPERA
    Flash Point103.7 °C🔬 EPA CompTox
    Involatility Index0.0039💻 Calculated
    log Kp (skin permeability)-1.459💻 Calculated
    SMILESCC=CC(=O)C1C(C=CCC1(C)C)C🔬 PubChem

    Volatility & Performance

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

    Odor & Flavor

    Primary Descriptorsfruityrose• leffingwell
    Functional Groupsketonealkene💻 RDKit
    d - Damascone has an intense, sweet odor.📖 Fenaroli

    Regulatory Status

    IFRA ListedYes — see IFRA Standards for category limits⚖️ IFRA 51
    IOFI ClassificationArtificial📖 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: DTXSID2052235

    Physical Properties

    Molecular Weight 192.302 g/mol🔬 EPA CompTox
    Density 0.916 g/cm^3📊 OPERA
    Boiling Point 251.679 °C📊 OPERA
    Melting Point 23.746 °C📊 OPERA
    Flash Point 101.891 °C📊 OPERA
    Refractive Index 1.466 Dimensionless📊 OPERA
    Molar Volume 216.031 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 4.2 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 3.788 Log10 unitless📊 OPERA
    LogD (pH 7.4) 3.788 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.81 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.026 mmHg📊 OPERA
    Surface Tension 28.92 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 59.832 cm^3/mol📊 OPERA
    Polarizability 23.719 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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