Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, trans- (CAS 181258-89-9) — Woody Middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, trans-

CAS 181258-89-9

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

What Is Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, trans-?

Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, trans- is a synthetic fragrance ingredient used in niche perfumery. It adds woody-ambery depth to modern compositions. While not commonly encountered by consumers, it appears in select avant-garde fragrances where its unique structural properties enable novel scent profiles.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Not currently IFRA-restricted
⚠ Limited toxicological data available
CAS
181258-89-9
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, trans- Smell Like?

This synthetic molecule presents a fascinating duality – initially crisp with almost metallic woody facets that recall freshly cut lumber, before revealing a warmer, honeyed amber character reminiscent of sun-baked pine resins. The ethoxy group lends an unexpected smoothness, allowing it to bridge between sharp top notes and deep base accords without overwhelming either.

Scent Profile
Layer 2

2D Molecular Structure

trans-1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane

SMILES: CCO[C@H]1CC[C@@H](CC1)C(C)(C)CC

Chemistry, Properties & Perfumer Guide

The Chemistry

As a substituted cyclohexane derivative, this compound belongs to the family of cyclic aliphatic ethers. The trans configuration of substituents creates molecular rigidity while the ethoxy group provides polarity. Industrial synthesis typically involves catalytic hydrogenation of phenolic precursors followed by Williamson ether synthesis.

Physical & Chemical Properties

Perfumer Guide

Note Position
Middle
Volatility
Medium (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Experimental Perfumery0.5-2%Up to 5%Used for structural effects

Classic Accords

Tip: Use to add dimensionality between citrus tops and woody bases.

Alternatives & Comparisons

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently evaluated by IFRA.

RIFM Assessment

No RIFM assessment available.

Sustainability

As a petroleum-derived synthetic, environmental impact depends on manufacturing processes. No known natural sources.

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References

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

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    Ingredient Data Sheet

    CAS 181258-89-9

    Physical Properties

    Molecular Weight198.34 g/mol🔬 PubChem
    LogP (Octanol-Water)4.2🔬 PubChem
    Boiling Point244 °C🔬 EPA CompTox
    Vapor Pressure0.1318 mmHg @ 25°C📊 OPERA
    Flash Point84.8 °C🔬 EPA CompTox
    Involatility Index0.0101💻 Calculated
    log Kp (skin permeability)-0.928💻 Calculated
    SMILESCCC(C)(C)C1CCC(CC1)OCC🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassSlow💻 Calculated
    Persistence Score1.9 / 5💻 Calculated

    Odor & Flavor

    Functional Groupsether💻 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: DTXSID5051812

    Physical Properties

    Molecular Weight 198.35 g/mol🔬 EPA CompTox
    Density 0.845 g/cm^3📊 OPERA
    Boiling Point 234.43 °C📊 OPERA
    Melting Point -21.612 °C📊 OPERA
    Flash Point 82.427 °C📊 OPERA
    Refractive Index 1.445 Dimensionless📊 OPERA
    Molar Volume 232.431 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 5.328 Log10 unitless📊 OPERA
    LogD (pH 5.5) 5.328 Log10 unitless📊 OPERA
    LogD (pH 7.4) 5.328 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.74 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L📊 OPERA
    Henry's Law Constant 0.001 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.092 mmHg📊 OPERA
    Viscosity 4.937 cP📊 OPERA
    Surface Tension 27.389 dyn/cm📊 OPERA
    Thermal Conductivity 120.63 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 9.23 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 1 count💻 Computed
    Rotatable Bonds 4 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 61.895 cm^3/mol📊 OPERA
    Polarizability 24.537 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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