4-Isopropyl-1-methylcyclohexene (CAS 5502-88-5) — Woody Middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Green

4-Isopropyl-1-methylcyclohexene

CAS 5502-88-5

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

What Is 4-Isopropyl-1-methylcyclohexene?

4-Isopropyl-1-methylcyclohexene is a synthetic fragrance ingredient often found in modern perfumes and household products. It contributes to fresh, woody, and slightly herbal scent profiles. This molecule is valued for its ability to add complexity to fragrance compositions, blending well with citrus and floral notes while providing structural depth.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Limited safety data available
CAS
5502-88-5
Formula
Mixture
MW
Variable
Odor Family
Woody · Green
Layer 1 · Enthusiast

What Does 4-Isopropyl-1-methylcyclohexene Smell Like?

4-Isopropyl-1-methylcyclohexene presents a crisp, clean aroma with initial sharpness reminiscent of crushed pine needles and freshly cut wood. As it evolves, the scent softens into a subtle herbal character with faint citrus undertones. The dry-down reveals a mild woody base that lingers close to the skin, making it ideal for fresh fougère and woody compositions.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Synthetic Wood(Modern Aromatics, 2015)

Used as a woody backbone in this avant-garde fragrance, providing structural support to citrus top notes while adding a contemporary synthetic wood character.

Layer 2

2D Molecular Structure

Cyclohexene, 1-methyl-4-(1-methylethyl)-

SMILES: CC(C)C1CCC(C)=CC1

Chemistry, Properties & Perfumer Guide

The Chemistry

4-Isopropyl-1-methylcyclohexene belongs to the cyclohexene class of compounds, characterized by a six-membered ring with one double bond. The isopropyl and methyl substituents influence both its physical properties and olfactory characteristics. While not found in nature, it is synthesized through catalytic processes involving terpene precursors.

Physical & Chemical Properties

Perfumer Guide

Note Position
Middle
Volatility
Medium (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-5%Up to 8%Woody accent note
Functional Products0.5-2%Up to 3%Freshness booster

Classic Accords

Tip: Use as a bridge between citrus top notes and woody base notes for seamless transitions.

Alternatives & Comparisons

1
Limonene CAS 138-86-3

For brighter citrus-woody character with higher volatility. More commonly found in natural sources.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No current IFRA restrictions.

RIFM Assessment

Limited safety assessment available through RIFM.

Sustainability

As a synthetic material, 4-Isopropyl-1-methylcyclohexene offers consistent quality without natural resource depletion. Production can be optimized for energy efficiency, though petrochemical sourcing remains an environmental consideration.

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References

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

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    Ingredient Data Sheet

    CAS 5502-88-5

    Physical Properties

    Molecular Weight138.25 g/mol🔬 PubChem
    LogP (Octanol-Water)3.4🔬 PubChem
    Boiling Point179.9 °C🔬 EPA CompTox
    Vapor Pressure1.0501 mmHg @ 25°C📊 OPERA
    Flash Point48 °C🔬 EPA CompTox
    Involatility Index0.0963💻 Calculated
    log Kp (skin permeability)-1.129💻 Calculated
    SMILESCC1=CCC(CC1)C(C)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteTop💻 Calculated
    Volatility ClassSlow💻 Calculated
    Persistence Score0.5 / 5💻 Calculated

    Odor & Flavor

    Primary Descriptorsgreenwoody• leffingwell
    Functional Groupsalkene💻 RDKit
    “This hydrocarbon, rarely offered commercially, finds a little use in perfumery, mainly in the preparation of artificial essential oils. However, a fairly pure grade of this chemical is comparatively expensive and the odor value of the material does not compensate for the market price of it. Unless it is made available at a price near that of the Citrus terpenes, there is little chance that this terpene will become a standard perfume raw material.”📖 Arctander

    Sensory Thresholds

    Odor Detection Threshold7.5485 ppm (n=2)📖 van Gemert
    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: DTXSID60863552

    Physical Properties

    Molecular Weight 138.254 g/mol🔬 EPA CompTox
    Density 0.822 g/cm^3🔬 EPA CTX
    Boiling Point 179.925 °C🔬 EPA CTX
    Melting Point -74.694 °C📊 OPERA
    Flash Point 48 °C🔬 EPA CTX
    Refractive Index 1.452 Dimensionless📊 OPERA
    Molar Volume 169.842 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 4.348 Log10 unitless📊 OPERA
    LogD (pH 5.5) 4.348 Log10 unitless📊 OPERA
    LogD (pH 7.4) 4.348 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 4.43 Log10 unitless📊 OPERA
    Water Solubility 0 mol/L🔬 EPA CTX
    Henry's Law Constant 0.045 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 1.05 mmHg🔬 EPA CTX
    Viscosity 1.249 cP📊 OPERA
    Surface Tension 25.267 dyn/cm📊 OPERA
    Thermal Conductivity 112.555 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 0 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 0 count💻 Computed
    Rotatable Bonds 1 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 45.843 cm^3/mol📊 OPERA
    Polarizability 18.173 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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