1-(2,2-Dimethyl-6-methylenecyclohexyl)but-2-en-1-one (CAS 35087-49-1) — Woody Middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

1-(2,2-Dimethyl-6-methylenecyclohexyl)but-2-en-1-one

CAS 35087-49-1

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

What Is 1-(2,2-Dimethyl-6-methylenecyclohexyl)but-2-en-1-one?

1-(2,2-Dimethyl-6-methylenecyclohexyl)but-2-en-1-one is a synthetic fragrance ingredient used in modern perfumery. It contributes unique woody and amber nuances. Found in niche fragrances, it adds complexity and longevity. This molecule matters because it offers perfumers a sustainable alternative to traditional woody-amber materials, with excellent blending properties and stability.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Check for individual sensitivities
CAS
35087-49-1
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does 1-(2,2-Dimethyl-6-methylenecyclohexyl)but-2-en-1-one Smell Like?

This molecule opens with a crisp, woody-green character reminiscent of freshly split cedar. As it evolves, a warm amber core emerges, like sun-baked driftwood with subtle hints of dried fruit. The dry-down reveals a sophisticated muskiness, lingering as a skin-scent with remarkable tenacity. Imagine the scent transition from a damp forest floor to a well-aged library leather binding.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Bois d'Argent(Dior, 2004)

Used here to enhance the fragrance’s signature velvety wood accord, adding both diffusion and a subtle almond-like nuance that complements the iris and vanilla.

Layer 2

2D Molecular Structure

1-(2,2-Dimethyl-6-methylenecyclohexyl)-2-buten-1-one

SMILES: CC=CC(=O)C1C(=C)CCCC1(C)C

Chemistry, Properties & Perfumer Guide

The Chemistry

This ketone belongs to the cyclohexyl butenone class, synthesized through controlled aldol condensation reactions. Its structure features a sterically hindered cyclohexyl ring with an exocyclic double bond, contributing to both its stability and unique odor profile. The molecule’s chirality affects its odor characteristics, with different enantiomers exhibiting varying intensity and quality.

Physical & Chemical Properties

Molecular Weight206.32 g/mol
Boiling Point~300 °C (estimated)

Perfumer Guide

Note Position
Middle
Volatility
Moderate (2-4 hours)
Blending
Excellent
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Adds woody depth
Home Care0.1-0.5%Up to 1%Provides longevity

Classic Accords

Tip: Use with citrus top notes to create contrast and with amber materials to enhance warmth.

Alternatives & Comparisons

1
Iso E Super CAS 54464-57-2

When a more transparent woody effect is desired, though lacks the amber nuances of our subject molecule.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA.

RIFM Assessment

RIFM has reviewed this material and found it safe for current use levels.

Sustainability

As a synthetic material, this molecule offers consistent quality without natural resource depletion. Modern production methods aim for atom economy and reduced waste. Future developments may explore bio-based synthesis routes.

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References

  1. PubChem Compound Summary for CID 35087-49-1 PubChem

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

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Ingredient Data Sheet

CAS 35087-49-1

Physical Properties

Molecular Weight192.3 g/mol🔬 PubChem
LogP (Octanol-Water)3.5🔬 PubChem
Boiling Point247 °C🔬 EPA CompTox
Vapor Pressure0.0513 mmHg @ 25°C📊 OPERA
Flash Point106.1 °C🔬 EPA CompTox
Involatility Index0.004💻 Calculated
log Kp (skin permeability)-1.388💻 Calculated
SMILESCC=CC(=O)C1C(=C)CCCC1(C)C🔬 PubChem

Volatility & Performance

Fragrance NoteHeart💻 Calculated
Volatility ClassVery slow💻 Calculated
Persistence Score2.6 / 5💻 Calculated

Odor & Flavor

Functional Groupsketonealkene💻 RDKit

Sensory Thresholds

Odor Detection Threshold0.0092 ppm📖 van Gemert

Regulatory Status

IFRA ListedYes — see IFRA Standards for category limits⚖️ IFRA 51
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: DTXSID9051375

Physical Properties

Molecular Weight 192.302 g/mol🔬 EPA CompTox
Density 0.918 g/cm^3📊 OPERA
Boiling Point 254.512 °C📊 OPERA
Melting Point 27.909 °C📊 OPERA
Flash Point 103.114 °C📊 OPERA
Refractive Index 1.478 Dimensionless📊 OPERA
Molar Volume 211.105 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 3.74 Log10 unitless📊 OPERA
LogD (pH 5.5) 3.74 Log10 unitless📊 OPERA
LogD (pH 7.4) 3.74 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 6.1 Log10 unitless📊 OPERA
Water Solubility 0.002 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.029 mmHg📊 OPERA
Surface Tension 31.257 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 59.743 cm^3/mol📊 OPERA
Polarizability 23.684 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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