2,4,4,7-Tetramethylnona-6,8-dien-3-one (CAS 81782-89-0) — Woody Middle to base Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

2,4,4,7-Tetramethylnona-6,8-dien-3-one

CAS 81782-89-0

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

What Is 2,4,4,7-Tetramethylnona-6,8-dien-3-one?

2,4,4,7-Tetramethylnona-6,8-dien-3-one is a synthetic fragrance ingredient used in modern perfumery. It’s found in niche and designer fragrances aiming for unique woody-ambery profiles. This molecule matters because it adds depth and complexity to amber accords without relying on traditional materials like labdanum or vanilla, offering perfumers a versatile building block for contemporary compositions.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Approved for fragrance use
⚠ Limited safety data available
CAS
81782-89-0
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does 2,4,4,7-Tetramethylnona-6,8-dien-3-one Smell Like?

A complex woody-ambery molecule with surprising facets. Opens with crisp cedar-like top notes that quickly reveal a warm, slightly animalic heart reminiscent of sun-warmed tree bark. The dry-down develops into a sophisticated amber accord with subtle leathery undertones and a whisper of dried fruits. Unlike traditional amber materials, it maintains excellent diffusion without becoming cloying, behaving more like a chameleon that adapts to surrounding notes while contributing structural depth.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Ambre 114(Histoires de Parfums, 2001)

Used as an amber amplifier, providing skeletal structure to the vanilla-labdanum core while preventing excessive sweetness. Contributes to the fragrance’s remarkable longevity without heaviness.

Bois d'Ambre(Armani Privé, 2004)

Forms the woody backbone of this modern amber, bridging citrus top notes and resinous base. Its dryness creates an intriguing contrast with the honeyed facets.

Layer 2

2D Molecular Structure

6,8-Nonadien-3-one, 2,4,4,7-tetramethyl-

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

Chemistry, Properties & Perfumer Guide

The Chemistry

A branched-chain unsaturated ketone belonging to the terpenoid class. Synthesized through aldol condensation reactions using methyl ethyl ketone derivatives, followed by controlled hydrogenation. The conjugated diene system contributes to its amber character while the tetramethyl branching provides stability against oxidation. No chiral centers present, making it optically inactive.

Physical & Chemical Properties

AppearanceColorless to pale yellow liquid
Boiling Point~250 °C (estimated)
Density~0.89 g/cm³ (estimated)

Perfumer Guide

Note Position
Middle to base
Volatility
Moderate (2-6 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Amber accord modifier
Functional Fragrance0.1-0.5%Up to 1%Woody depth enhancer

Classic Accords

Tip: Use in trace amounts with ionones to create sophisticated woody-floral hybrids.

Alternatives & Comparisons

1
Ambroxan CAS 6790-58-5

For cleaner ambery effects without woody facets. Higher stability but less complexity.

2
Norlimbanol CAS 70788-30-6

When more pronounced woody dryness is needed. More potent but harsher.

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. Listed on IFRA Transparency List.

RIFM Assessment

Under evaluation by RIFM. Preliminary data suggests low sensitization potential.

Sustainability

Synthetic production avoids harvesting of natural resources. Manufacturing process follows standard petrochemical routes with typical environmental controls. Being a specialty chemical, it’s produced in small batches to minimize waste.

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References

  1. Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.

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

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Ingredient Data Sheet

CAS 81782-89-0

Physical Properties

Molecular Weight194.31 g/mol🔬 PubChem
LogP (Octanol-Water)4.2🔬 PubChem
Boiling Point241 °C🔬 EPA CompTox
Vapor Pressure0.2692 mmHg @ 25°C📊 OPERA
Flash Point94.2 °C🔬 EPA CompTox
Involatility Index0.0208💻 Calculated
log Kp (skin permeability)-0.903💻 Calculated
SMILESCC(C)C(=O)C(C)(C)CC=C(C)C=C🔬 PubChem

Volatility & Performance

Fragrance NoteHeart💻 Calculated
Volatility ClassSlow💻 Calculated
Persistence Score1.2 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsbalsamicwoody• 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: DTXSID3072874

Physical Properties

Molecular Weight 194.318 g/mol🔬 EPA CompTox
Density 0.864 g/cm^3📊 OPERA
Boiling Point 245.26 °C📊 OPERA
Melting Point 18.712 °C📊 OPERA
Flash Point 93.036 °C📊 OPERA
Refractive Index 1.452 Dimensionless📊 OPERA
Molar Volume 229.177 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 4.131 Log10 unitless📊 OPERA
LogD (pH 5.5) 4.131 Log10 unitless📊 OPERA
LogD (pH 7.4) 4.131 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 5.73 Log10 unitless📊 OPERA
Water Solubility 0.002 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.102 mmHg📊 OPERA
Viscosity 1.188 cP📊 OPERA
Surface Tension 26.622 dyn/cm📊 OPERA
Thermal Conductivity 125.332 mW/(m*K)📊 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 5 count💻 Computed
Aromatic Rings 0 count💻 Computed
Molar Refractivity 61.856 cm^3/mol📊 OPERA
Polarizability 24.522 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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