Cyclohexanecarboxylic acid, 1,4-dimethyl-, methyl ester, trans- (CAS 23250-42-2) — Woody Middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Floral

Cyclohexanecarboxylic acid, 1,4-dimethyl-, methyl ester, trans-

CAS 23250-42-2

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

What Is Cyclohexanecarboxylic acid, 1,4-dimethyl-, methyl ester, trans-?

This synthetic compound is a specialized fragrance ingredient primarily encountered in modern perfumery. It contributes to creating unique scent profiles in niche and designer fragrances. While not widely recognized by name, its molecular structure allows perfumers to craft distinctive woody-floral accords with excellent longevity.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Approved for fragrance use
⚠ Limited safety data available
CAS
23250-42-2
Formula
Mixture
MW
Variable
Odor Family
Woody · Floral
Layer 1 · Enthusiast

What Does Cyclohexanecarboxylic acid, 1,4-dimethyl-, methyl ester, trans- Smell Like?

This ester delivers a complex olfactory profile that evolves from initial crisp citrus-woody tones to a heart of smooth floralcy with subtle green undertones. The dry-down reveals a refined woody-musk character reminiscent of aged cedar chests with a whisper of violet leaf. Its trans-configuration contributes to a cleaner, more diffusive scent compared to its cis counterpart, making it particularly valuable for modern fougère and chypre compositions where structural clarity is desired.

Scent Profile
Layer 2

2D Molecular Structure

Cyclohexanecarboxylic acid, 1,4-dimethyl-, methyl ester, trans-

SMILES: COC(=O)[C@@]1(C)CC[C@H](C)CC1

Chemistry, Properties & Perfumer Guide

The Chemistry

Cyclohexanecarboxylic acid, 1,4-dimethyl-, methyl ester (trans-) belongs to the class of cyclohexane carboxylate esters. The trans configuration of the methyl groups confers greater stability and different olfactory properties compared to the cis form. Synthesis typically involves esterification of the corresponding trans-cyclohexanecarboxylic acid with methanol under acidic conditions, followed by careful purification to isolate the desired stereoisomer. The rigid cyclohexane ring structure contributes to the molecule’s volatility profile and resistance to oxidation.

Physical & Chemical Properties

Perfumer Guide

Note Position
Middle
Volatility
Medium (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Used as a modifier in woody compositions
Functional Fragrance0.1-0.5%Up to 1%Adds sophistication to cleaning products

Classic Accords

Tip: Use as a bridge between citrus top notes and woody base notes in masculine fragrances.

Alternatives & Comparisons

1
Methyl dihydrojasmonate CAS 24851-98-7

Offers similar floral-woody character with greater diffusion and more established safety profile.

2
Verdox CAS 88-41-5

Provides comparable woody-green notes with higher volatility for top note applications.

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 published RIFM assessment available.

Sustainability

As a synthetic material, this compound avoids natural resource depletion concerns. Production typically involves petrochemical feedstocks, though modern green chemistry approaches may offer more sustainable synthesis routes. The ester’s stability contributes to fragrance longevity, potentially reducing reapplication frequency 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 23250-42-2

    Physical Properties

    Molecular Weight170.25 g/mol🔬 PubChem
    LogP (Octanol-Water)2.8🔬 PubChem
    Boiling Point209 °C🔬 EPA CompTox
    Vapor Pressure0.4169 mmHg @ 25°C📊 OPERA
    Flash Point71.5 °C🔬 EPA CompTox
    Involatility Index0.0344💻 Calculated
    log Kp (skin permeability)-1.751💻 Calculated
    SMILESCC1CCC(CC1)(C)C(=O)OC🔬 PubChem

    Volatility & Performance

    Fragrance NoteTop💻 Calculated
    Volatility ClassSlow💻 Calculated
    Persistence Score0.7 / 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: DTXSID80885231

    Physical Properties

    Molecular Weight 170.252 g/mol🔬 EPA CompTox
    Density 0.934 g/cm^3📊 OPERA
    Boiling Point 205.467 °C📊 OPERA
    Melting Point -4.047 °C📊 OPERA
    Flash Point 76.845 °C📊 OPERA
    Refractive Index 1.438 Dimensionless📊 OPERA
    Molar Volume 182.481 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 3.452 Log10 unitless📊 OPERA
    LogD (pH 5.5) 3.452 Log10 unitless📊 OPERA
    LogD (pH 7.4) 3.452 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 4.86 Log10 unitless📊 OPERA
    Water Solubility 0.004 mol/L📊 OPERA
    Henry's Law Constant 0.001 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.433 mmHg📊 OPERA
    Viscosity 3.425 cP📊 OPERA
    Surface Tension 28.938 dyn/cm📊 OPERA
    Thermal Conductivity 118.588 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 47.942 cm^3/mol📊 OPERA
    Polarizability 19.006 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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