Cyclohexanecarboxylic acid, 3-methyl, methyl ester, (1R,3R)-rel- (CAS 7605-53-0) — Woody Top-middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Green

Cyclohexanecarboxylic acid, 3-methyl, methyl ester, (1R,3R)-rel-

CAS 7605-53-0

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

What Is Cyclohexanecarboxylic acid, 3-methyl, methyl ester, (1R,3R)-rel-?

This synthetic ingredient is a specialized fragrance compound used in fine perfumery. It contributes a unique woody-green character to modern compositions. Perfumers value it for its ability to add diffusive lift and structural complexity without overwhelming other notes, making it particularly useful in masculine and unisex fragrances.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ IFRA compliant
⚠ Moderate volatility
CAS
7605-53-0
Formula
Mixture
MW
Variable
Odor Family
Woody · Green
Layer 1 · Enthusiast

What Does Cyclohexanecarboxylic acid, 3-methyl, methyl ester, (1R,3R)-rel- Smell Like?

Opens with a crisp, almost metallic greenness reminiscent of crushed stems, quickly revealing a sophisticated woody core. The drydown carries faint echoes of vetiver roots and freshly planed cedar, with a subtle marine-like freshness that prevents heaviness. Behaves like a structural beam in compositions – invisible but essential for shape.

Scent Profile
Layer 2

2D Molecular Structure

Cyclohexanecarboxylic acid, 3-methyl-, methyl ester, (1R,3R)-rel-

SMILES: COC(=O)[C@@H]1CCC[C@@H](C)C1

Chemistry, Properties & Perfumer Guide

The Chemistry

This cyclohexane derivative belongs to the class of alicyclic esters. The stereochemistry (1R,3R configuration) significantly influences its odor profile. Industrially synthesized through hydrogenation of corresponding aromatic precursors followed by esterification. The methyl group at position 3 creates steric hindrance that contributes to its distinctive diffusion pattern.

Physical & Chemical Properties

Perfumer Guide

Note Position
Top-middle
Volatility
Medium (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Adds structural greenness
Functional Fragrance0.5-1%Up to 2%Freshness booster

Classic Accords

Tip: Use to bridge citrus top notes with woody bases in contemporary compositions.

Alternatives & Comparisons

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No IFRA restrictions currently apply.

RIFM Assessment

Not currently assessed by RIFM.

Sustainability

Synthetic production minimizes ecological impact compared to natural extraction. The manufacturing process allows for precise stereochemical control, reducing waste.

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References

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

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    Ingredient Data Sheet

    CAS 7605-53-0

    Physical Properties

    Molecular Weight156.22 g/mol🔬 PubChem
    LogP (Octanol-Water)2.4🔬 PubChem
    Boiling Point192 °C🔬 EPA CompTox
    Vapor Pressure0.1585 mmHg @ 25°C📊 OPERA
    Flash Point66.3 °C🔬 EPA CompTox
    Involatility Index0.0137💻 Calculated
    log Kp (skin permeability)-1.949💻 Calculated
    SMILESCC1CCCC(C1)C(=O)OC🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassSlow💻 Calculated
    Persistence Score1.3 / 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: DTXSID3074650

    Physical Properties

    Molecular Weight 156.225 g/mol🔬 EPA CompTox
    Density 0.959 g/cm^3📊 OPERA
    Boiling Point 191.395 °C📊 OPERA
    Melting Point -19.958 °C📊 OPERA
    Flash Point 66.182 °C📊 OPERA
    Refractive Index 1.441 Dimensionless📊 OPERA
    Molar Volume 164.058 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 3.067 Log10 unitless📊 OPERA
    LogD (pH 5.5) 3.067 Log10 unitless📊 OPERA
    LogD (pH 7.4) 3.067 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 4.32 Log10 unitless📊 OPERA
    Water Solubility 0.008 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.445 mmHg📊 OPERA
    Viscosity 2.193 cP📊 OPERA
    Surface Tension 29.274 dyn/cm📊 OPERA
    Thermal Conductivity 130.909 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 43.329 cm^3/mol📊 OPERA
    Polarizability 17.177 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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