2-Isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate (CAS 67801-23-4) — Woody Middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Sweet

2-Isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate

CAS 67801-23-4

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

What Is 2-Isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate?

2-Isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate is a synthetic fragrance ingredient used in perfumery. It’s found in various personal care products and fine fragrances. This compound contributes unique olfactory characteristics that enhance fragrance compositions.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Check for individual sensitivity
CAS
67801-23-4
Formula
Mixture
MW
Variable
Odor Family
Woody · Sweet
Layer 1 · Enthusiast

What Does 2-Isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate Smell Like?

This synthetic ingredient offers a complex olfactory profile with woody, slightly floral, and fruity nuances. It evolves from a fresh top note to a warmer, more rounded heart, settling into a subtle woody base. The dry-down is smooth and lingering, adding depth to fragrance compositions.

Scent Profile
Layer 2

2D Molecular Structure

5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate

SMILES: CC=C(C)C(=O)OC1CC(C)CCC1C(C)C

Chemistry, Properties & Perfumer Guide

The Chemistry

2-Isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate is an ester compound synthesized through esterification reactions. It belongs to the class of cyclohexyl esters, known for their stability and pleasant odor characteristics. The synthesis typically involves the reaction of the corresponding alcohol with 2-methylbut-2-enoic acid under controlled conditions.

Physical & Chemical Properties

Perfumer Guide

Note Position
Middle
Volatility
Medium (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-5%Up to 10%Adds depth and complexity
Personal Care0.5-3%Up to 5%Used for its pleasant odor

Classic Accords

Tip: Use as a modifier to enhance woody and floral notes in fragrance compositions.

Alternatives & Comparisons

1
Linalyl acetate CAS 115-95-7

A more floral alternative with similar volatility and blending properties.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No specific IFRA restrictions currently apply to this ingredient.

RIFM Assessment

Safety assessment data is currently limited for this ingredient.

Sustainability

As a synthetic ingredient, its production can be controlled for consistency and environmental impact. The manufacturing process can be optimized to reduce waste and energy consumption.

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References

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

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    Ingredient Data Sheet

    CAS 67801-23-4

    Physical Properties

    Molecular Weight238.37 g/mol🔬 PubChem
    LogP (Octanol-Water)4.8🔬 PubChem
    Boiling Point263 °C🔬 EPA CompTox
    Vapor Pressure0.0068 mmHg @ 25°C📊 OPERA
    Flash Point120.6 °C🔬 EPA CompTox
    Involatility Index0.0005💻 Calculated
    log Kp (skin permeability)-0.746💻 Calculated
    SMILESCC=C(C)C(=O)OC1CC(CCC1C(C)C)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score5.3 / 5💻 Calculated

    Odor & Flavor

    Primary Descriptorsfloralfruityherbalsweet• leffingwell
    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: DTXSID6052370

    Physical Properties

    Molecular Weight 238.371 g/mol🔬 EPA CompTox
    Density 0.916 g/cm^3📊 OPERA
    Boiling Point 279.604 °C📊 OPERA
    Melting Point 11.174 °C📊 OPERA
    Flash Point 129.074 °C📊 OPERA
    Refractive Index 1.466 Dimensionless📊 OPERA
    Molar Volume 256.164 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 6.2 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 5.9 Log10 unitless📊 OPERA
    LogD (pH 7.4) 5.9 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 7.26 Log10 unitless📊 OPERA
    Water Solubility 0 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.003 mmHg📊 OPERA
    Surface Tension 29.547 dyn/cm📊 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 3 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 70.901 cm^3/mol📊 OPERA
    Polarizability 28.107 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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