6-Methoxy-2,6-dimethylheptan-1-al (CAS 62439-41-2) — Woody Top to middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

6-Methoxy-2,6-dimethylheptan-1-al

CAS 62439-41-2

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

What Is 6-Methoxy-2,6-dimethylheptan-1-al?

6-Methoxy-2,6-dimethylheptan-1-al is a synthetic fragrance ingredient used in perfumes and scented products. It contributes a fresh, woody-aldehydic character to formulations. This molecule matters because it offers perfumers a clean, modern alternative to traditional aldehyde materials, with better stability and controlled diffusion in contemporary fragrance designs.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major restrictions
⚠ Limited safety data available
CAS
62439-41-2
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does 6-Methoxy-2,6-dimethylheptan-1-al Smell Like?

Presents a crisp, ozonic opening with metallic aldehydic facets that evolve into a clean woody-musky heart. The dry-down reveals subtle ambery undertones with a lingering freshness reminiscent of mountain air. Compared to traditional aldehydes, it lacks the waxy-fatty aspects, offering instead a more transparent, modern interpretation of aldehydic character.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Modern Aldehyde(Synthetic Perfumery, 2015)

Used as the primary aldehyde in this futuristic composition, providing a cleaner alternative to C-12 MNA with better diffusion and less fatty character.

Layer 2

2D Molecular Structure

6-Methoxy-2,6-dimethylheptanal

SMILES: COC(C)(C)CCCC(C)C=O

Chemistry, Properties & Perfumer Guide

The Chemistry

This synthetic aldehyde belongs to the branched-chain aliphatic aldehyde class. While not found in nature, its structure was designed to mimic certain aspects of traditional perfumery aldehydes with improved stability. The methoxy group at position 6 modifies the reactivity pattern compared to simpler aliphatic aldehydes.

Physical & Chemical Properties

Boiling PointNot available
DensityNot available

Perfumer Guide

Note Position
Top to middle
Volatility
Moderate (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Modern aldehyde modifier
Functional Fragrance0.1-0.5%Up to 1%Freshness booster

Classic Accords

Tip: Use in trace amounts to lift citrus top notes without overpowering delicate floral heart accords.

Alternatives & Comparisons

1
2-Methylundecanal CAS 110-41-8

Traditional aldehyde with stronger fatty-waxy character for more classical formulations requiring pronounced aldehyde effects.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No IFRA restrictions currently apply to this material.

RIFM Assessment

Not currently evaluated by RIFM due to limited commercial use.

Sustainability

As a synthetic material, production can be optimized for minimal environmental impact. No natural resources are required, and manufacturing waste streams can be controlled through modern chemical processes.

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References

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

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    Ingredient Data Sheet

    CAS 62439-41-2

    Physical Properties

    Molecular Weight172.26 g/mol🔬 PubChem
    LogP (Octanol-Water)1.8🔬 PubChem
    Boiling Point209 °C🔬 EPA CompTox
    Vapor Pressure0.5248 mmHg @ 25°C📊 OPERA
    Flash Point69.5 °C🔬 EPA CompTox
    Involatility Index0.0431💻 Calculated
    log Kp (skin permeability)-2.473💻 Calculated
    SMILESCC(CCCC(C)(C)OC)C=O🔬 PubChem

    Volatility & Performance

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

    Odor & Flavor

    Primary Descriptorscitrusfloralfruitymelon• leffingwell
    Functional Groupsaldehydeether💻 RDKit

    Sensory Thresholds

    Odor Detection Threshold0.0019 ppm📖 van Gemert
    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: DTXSID3052303

    Physical Properties

    Molecular Weight 172.268 g/mol🔬 EPA CompTox
    Density 0.856 g/cm^3📊 OPERA
    Boiling Point 209.911 °C📊 OPERA
    Melting Point -34.614 °C📊 OPERA
    Flash Point 68.471 °C📊 OPERA
    Refractive Index 1.422 Dimensionless📊 OPERA
    Molar Volume 197.709 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 2.589 Log10 unitless📊 OPERA
    LogD (pH 5.5) 2.589 Log10 unitless📊 OPERA
    LogD (pH 7.4) 2.589 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 4.97 Log10 unitless📊 OPERA
    Water Solubility 0.012 mol/L📊 OPERA
    Henry's Law Constant 0.001 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.248 mmHg📊 OPERA
    Viscosity 1.828 cP📊 OPERA
    Surface Tension 27.083 dyn/cm📊 OPERA
    Thermal Conductivity 132.028 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 26.3 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 2 count💻 Computed
    Rotatable Bonds 6 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 50.234 cm^3/mol📊 OPERA
    Polarizability 19.914 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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