Methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate (CAS 28043-10-9) — Woody Top to middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Green

Methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate

CAS 28043-10-9

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

What Is Methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate?

Methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate is a synthetic fragrance ingredient used in modern perfumery. It contributes to fresh, woody, and slightly fruity accords. You’ll encounter it in fine fragrances and personal care products where a crisp, naturalistic woody note is desired.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major safety concerns at typical usage levels
ℹ Limited safety data available
CAS
28043-10-9
Formula
Mixture
MW
Variable
Odor Family
Woody · Green
Layer 1 · Enthusiast

What Does Methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate Smell Like?

This molecule presents a crisp, woody character with subtle fruity undertones reminiscent of unripe berries. The top note has a refreshing, almost camphoraceous quality that evolves into a smoother, more rounded woody heart. Dry-down reveals a clean, slightly sweet base with excellent tenacity. The overall effect is reminiscent of freshly split cedarwood with a whisper of citrus peel.

Scent Profile
Layer 2

2D Molecular Structure

Methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate

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

Chemistry, Properties & Perfumer Guide

The Chemistry

Methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate belongs to the cyclohexene carboxylate ester class. It is exclusively synthetic, typically produced through esterification of trimethylcyclohexene carboxylic acid with methanol. The structure features a conjugated double bond system that contributes to its fresh woody character. The molecule’s compact size gives it good volatility while the ester group provides stability.

Physical & Chemical Properties

Perfumer Guide

Note Position
Top to middle
Volatility
Medium (1-3 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Woody modifier
Functional Fragrance0.1-1%Up to 3%Freshness booster

Classic Accords

Tip: Use to add crispness to woody bases without overwhelming floral components.

Alternatives & Comparisons

1
Verdox CAS 88-41-5

Similar woody character but with stronger green notes and better diffusion.

2
Iso E Super CAS 54464-57-2

For more pronounced woody-ambergris effects with greater tenacity.

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.

RIFM Assessment

No RIFM assessment currently available.

Sustainability

As a synthetic material, this compound avoids natural resource depletion concerns. Production typically uses petrochemical feedstocks, though green chemistry approaches may be applicable. The molecule’s efficiency at low concentrations reduces environmental loading 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 28043-10-9

    Physical Properties

    Molecular Weight182.26 g/mol🔬 PubChem
    LogP (Octanol-Water)2.6🔬 PubChem
    Boiling Point205 °C🔬 EPA CompTox
    Vapor Pressure0.0715 mmHg @ 25°C📊 OPERA
    Flash Point80 °C🔬 EPA CompTox
    Involatility Index0.0057💻 Calculated
    log Kp (skin permeability)-1.966💻 Calculated
    SMILESCC1=CCCC(C1C(=O)OC)(C)C🔬 PubChem

    Volatility & Performance

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

    Odor & Flavor

    Functional Groupsesteretheralkene💻 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: DTXSID4051956

    Physical Properties

    Molecular Weight 182.263 g/mol🔬 EPA CompTox
    Density 0.963 g/cm^3🔬 EPA CTX
    Boiling Point 205 °C🔬 EPA CTX
    Melting Point 20.773 °C📊 OPERA
    Flash Point 80 °C🔬 EPA CTX
    Refractive Index 1.452 Dimensionless📊 OPERA
    Molar Volume 193.758 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 3.573 Log10 unitless📊 OPERA
    LogD (pH 5.5) 3.573 Log10 unitless📊 OPERA
    LogD (pH 7.4) 3.573 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.22 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L🔬 EPA CTX
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.072 mmHg🔬 EPA CTX
    Viscosity 3.171 cP📊 OPERA
    Surface Tension 28.245 dyn/cm📊 OPERA
    Thermal Conductivity 120.692 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 1 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 52.25 cm^3/mol📊 OPERA
    Polarizability 20.714 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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