2-Butyl-4,4,6-trimethyl-1,3-dioxane (CAS 54546-26-8) — Green Top to Middle Note Fragrance Ingredient

ByThe Good Scents
Green · Woody

2-Butyl-4,4,6-trimethyl-1,3-dioxane

CAS 54546-26-8

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

What Is 2-Butyl-4,4,6-trimethyl-1,3-dioxane?

2-Butyl-4,4,6-trimethyl-1,3-dioxane is a synthetic fragrance ingredient used in modern perfumery to add fresh, woody, and slightly herbal nuances. You might encounter it in body care products and fine fragrances. This compound is valued for its ability to enhance freshness and green character in perfumes, making it a versatile tool for perfumers seeking modern, crisp accords.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major safety concerns identified
⚠ Limited toxicological data available
CAS
54546-26-8
Formula
Mixture
MW
Variable
Odor Family
Green · Woody
Layer 1 · Enthusiast

What Does 2-Butyl-4,4,6-trimethyl-1,3-dioxane Smell Like?

2-Butyl-4,4,6-trimethyl-1,3-dioxane opens with a crisp, slightly metallic freshness reminiscent of crushed green stems. The heart reveals a subtle woody undertone, like young sapling bark, with a faint herbal whisper of sage or thyme. As it dries down, it leaves a clean, almost ozonic trail that blends seamlessly with musky and citrus notes. Its behavior is linear yet diffusive, making it useful for adding transparent freshness without overwhelming a composition.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Cool Water(Davidoff, 1988)

Used to amplify the fresh aquatic character, contributing to the modern ‘blue’ fragrance profile with its green-woody facets.

Polo Sport(Ralph Lauren, 1994)

Provides crispness to the sporty citrus top notes while supporting the aromatic heart with its subtle woody persistence.

Layer 2

2D Molecular Structure

2-Butyl-4,4,6-trimethyl-1,3-dioxane

SMILES: CCCCC1OC(C)CC(C)(C)O1

Chemistry, Properties & Perfumer Guide

The Chemistry

2-Butyl-4,4,6-trimethyl-1,3-dioxane belongs to the dioxane class of compounds, characterized by a six-membered ring with two oxygen atoms. It is exclusively synthetic, typically produced through acid-catalyzed reactions of aldehydes or ketones with diols. The butyl and trimethyl substitutions create steric hindrance that influences both volatility and odor characteristics. While not chiral, the spatial arrangement of substituents significantly impacts its olfactory profile.

Physical & Chemical Properties

Boiling PointNot available
DensityNot available

Perfumer Guide

Note Position
Top to Middle
Volatility
Medium (1-3 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Fresh-modifier in modern accords
Functional Fragrances0.1-1%Up to 3%Provides clean freshness in detergents

Classic Accords

Tip: Use in traces to brighten citrus tops or in higher doses for green-woody effects.

Alternatives & Comparisons

1
Floralozone CAS 67634-15-5

Offers similar freshness with more pronounced ozone character, useful when a stronger aquatic effect is desired.

2
Dihydroterpinyl acetate CAS 58985-18-5

Provides comparable green-woody aspects with better stability in alkaline formulations.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not restricted under current IFRA standards.

RIFM Assessment

Not currently evaluated by RIFM. Limited safety data available.

Sustainability

As a synthetic material, production is not dependent on agricultural resources. Manufacturing typically involves petrochemical feedstocks, though the exact process varies by producer. Environmental impact depends on specific production methods and waste management practices. Being used in small quantities reduces its overall environmental footprint in finished products.

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References

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

    Report a data error

    Ingredient Data Sheet

    CAS 54546-26-8

    Physical Properties

    Molecular Weight186.29 g/mol🔬 PubChem
    LogP (Octanol-Water)3.1🔬 PubChem
    Boiling Point218 °C🔬 EPA CompTox
    Vapor Pressure0.45 mmHg @ 25°C📊 OPERA
    Flash Point73 °C🔬 EPA CompTox
    Involatility Index0.0355💻 Calculated
    log Kp (skin permeability)-1.635💻 Calculated
    SMILESCCCCC1OC(CC(O1)(C)C)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteTop💻 Calculated
    Volatility ClassSlow💻 Calculated
    Persistence Score0.6 / 5💻 Calculated

    Odor & Flavor

    Primary Descriptorsgreenwoody• leffingwell
    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: DTXSID0052205

    Physical Properties

    Molecular Weight 186.295 g/mol🔬 EPA CompTox
    Density 0.884 g/cm^3🔬 EPA CTX
    Boiling Point 212.027 °C📊 OPERA
    Melting Point -5.119 °C📊 OPERA
    Flash Point 73 °C🔬 EPA CTX
    Refractive Index 1.413 Dimensionless📊 OPERA
    Molar Volume 217.532 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 3.94 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 2.994 Log10 unitless📊 OPERA
    LogD (pH 7.4) 2.994 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.2 Log10 unitless📊 OPERA
    Water Solubility 0.004 mol/L🔬 EPA CTX
    Henry's Law Constant 0.001 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.593 mmHg🔬 EPA CTX
    Viscosity 2.729 cP📊 OPERA
    Surface Tension 26.748 dyn/cm📊 OPERA
    Thermal Conductivity 119.33 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 18.46 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 2 count💻 Computed
    Rotatable Bonds 3 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 54.279 cm^3/mol📊 OPERA
    Polarizability 21.518 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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