Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel- (CAS 22471-55-2) — Woody Middle to Base Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-

CAS 22471-55-2

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

What Is Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-?

This synthetic ester is a specialized fragrance ingredient primarily used by professional perfumers. It’s not commonly encountered in consumer products but may appear in niche fragrances. The material offers unique woody-amber characteristics prized in modern perfumery for adding depth and diffusion.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ IFRA-compliant usage levels
⚠ Limited safety data available
CAS
22471-55-2
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel- Smell Like?

The scent profile presents a complex interplay of woody, amber, and slightly fruity facets. Initially crisp with a cedary sharpness, it evolves into a warm, musky base reminiscent of sun-baked driftwood. The dry-down reveals subtle vanillic undertones that blend seamlessly with other base materials, providing excellent tenacity without overwhelming.

Scent Profile
Layer 2

2D Molecular Structure

Ethyl (1R,6S)-2,2,6-trimethylcyclohexanecarboxylate

SMILES: CCOC(=O)[C@@H]1[C@@H](C)CCCC1(C)C

Chemistry, Properties & Perfumer Guide

The Chemistry

This chiral ester belongs to the class of substituted cyclohexanecarboxylates. The (1R,6S)-relative configuration contributes to its specific odor profile. Synthesized through esterification of the corresponding carboxylic acid with ethanol, typically using acid catalysis. The trimethyl substitution pattern creates steric hindrance that influences both volatility and odor characteristics.

Physical & Chemical Properties

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 enhancer
Functional Fragrance0.1-0.5%Up to 1%Diffusion booster

Classic Accords

Tip: Use in trace amounts to enhance woody-amber accords without dominating the composition.

Alternatives & Comparisons

1
Ambroxan CAS 6790-58-5

More widely available amber alternative with similar diffusion properties but different odor profile.

2
Ethyl Linalool CAS 10339-55-6

For lighter floral-woody applications where less amber character is desired.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No specific IFRA restrictions. General ester guidelines apply.

RIFM Assessment

Limited safety assessment available. Recommended usage within standard ester guidelines.

Sustainability

As a synthetic material, production avoids natural resource depletion. Manufacturing processes should follow green chemistry principles to minimize environmental impact. No known issues with biodegradability or bioaccumulation.

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References

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

    Report a data error

    Ingredient Data Sheet

    CAS 22471-55-2

    Physical Properties

    Molecular Weight198.3 g/mol🔬 PubChem
    LogP (Octanol-Water)3.8🔬 PubChem
    Boiling Point228 °C🔬 EPA CompTox
    Vapor Pressure0.0398 mmHg @ 25°C📊 OPERA
    Flash Point93.7 °C🔬 EPA CompTox
    Involatility Index0.003💻 Calculated
    log Kp (skin permeability)-1.212💻 Calculated
    SMILESCCOC(=O)C1C(CCCC1(C)C)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score2.9 / 5💻 Calculated

    Odor & Flavor

    Functional Groupsesterether💻 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: DTXSID4051875

    Physical Properties

    Molecular Weight 198.306 g/mol🔬 EPA CompTox
    Density 0.908 g/cm^3📊 OPERA
    Boiling Point 225.129 °C📊 OPERA
    Melting Point 15.779 °C📊 OPERA
    Flash Point 89.738 °C📊 OPERA
    Refractive Index 1.436 Dimensionless📊 OPERA
    Molar Volume 218.979 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 4.206 Log10 unitless📊 OPERA
    LogD (pH 5.5) 4.206 Log10 unitless📊 OPERA
    LogD (pH 7.4) 4.206 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.84 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L📊 OPERA
    Henry's Law Constant 0.001 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.092 mmHg📊 OPERA
    Viscosity 4.382 cP📊 OPERA
    Surface Tension 27.873 dyn/cm📊 OPERA
    Thermal Conductivity 122.514 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 2 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 57.283 cm^3/mol📊 OPERA
    Polarizability 22.709 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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