Dimethylcyclohex-3-ene-1-carbaldehyde (isomer unspecified) (CAS 27939-60-2) — Green Top to middle Note Fragrance Ingredient

ByThe Good Scents
Green · Citrus

Dimethylcyclohex-3-ene-1-carbaldehyde (isomer unspecified)

CAS 27939-60-2

Origin
synthetic
Note
Top to middle
IFRA
Use with awareness
Data as of: Apr 2026

What Is Dimethylcyclohex-3-ene-1-carbaldehyde (isomer unspecified)?

Dimethylcyclohex-3-ene-1-carbaldehyde is a synthetic fragrance ingredient used in modern perfumery. It’s found in some contemporary floral and woody fragrances. This molecule contributes to fresh, green accords with subtle citrus undertones, often used to enhance natural-smelling compositions without relying on botanical extracts.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ IFRA compliant at standard usage levels
⚠ Limited safety data available
CAS
27939-60-2
Formula
Mixture
MW
Variable
Odor Family
Green · Citrus
Layer 1 · Enthusiast

What Does Dimethylcyclohex-3-ene-1-carbaldehyde (isomer unspecified) Smell Like?

A crisp, modern aroma blending green freshness with subtle citrus facets. Opens with a bright, almost lemony burst that quickly evolves into a wet-leaf greenness reminiscent of crushed stems. The dry-down reveals a clean woody character with faint floral undertones, behaving like a more refined version of traditional green aldehydes. Its evolution is linear but sophisticated, maintaining a transparent quality that makes it excellent for modern fresh compositions.

Scent Profile
Layer 2

2D Molecular Structure

Trivertal

SMILES: C*.C*.O=CC1CCC=CC1 |c:7,lp:4:2,m:1:7.8.9.10,3:8.9.10.11|

Chemistry, Properties & Perfumer Guide

The Chemistry

Dimethylcyclohex-3-ene-1-carbaldehyde belongs to the cyclohexene carbaldehyde class of fragrance compounds. As a synthetic molecule, it doesn’t occur naturally. The unspecified isomer mixture suggests varying positions of methyl groups around the cyclohexene ring, which affects odor profile. Synthesis typically involves Diels-Alder reactions followed by oxidation steps. The aldehyde group contributes significantly to its volatility and odor characteristics.

Physical & Chemical Properties

Perfumer Guide

Note Position
Top to middle
Volatility
Medium (1-3 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Fresh top note modifier
Functional Fragrance0.1-0.5%Up to 1%Green accent

Classic Accords

Tip: Use to extend the freshness of citrus top notes into the heart phase.

Alternatives & Comparisons

1
Cyclamen Aldehyde CAS 103-95-7

More floral character with similar green freshness, better substantivity

2
Triplal CAS 68039-49-6

Stronger green-leaf character but harsher top note

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No specific restrictions under current IFRA standards.

RIFM Assessment

Limited safety assessment data available from RIFM.

Sustainability

As a synthetic material, production avoids agricultural land use. However, petrochemical sourcing raises carbon footprint concerns. Future green chemistry routes could improve sustainability profile.

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References

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

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    Ingredient Data Sheet

    CAS 27939-60-2

    Physical Properties

    Molecular Weight138.21 g/mol🔬 PubChem
    LogP (Octanol-Water)1.9🔬 PubChem
    Boiling Point195.4 °C🔬 EPA CompTox
    Vapor Pressure0.4958 mmHg @ 25°C📊 OPERA
    Flash Point64.5 °C🔬 EPA CompTox
    Involatility Index0.0455💻 Calculated
    log Kp (skin permeability)-2.194💻 Calculated
    SMILESCC1C=CCCC1(C)C=O🔬 PubChem

    Volatility & Performance

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

    Odor & Flavor

    Primary Descriptorscitrusfloralgreenleafy• leffingwell
    Functional Groupsaldehydealkene💻 RDKit
    “odor of moderate tenacity. The unsaturated aldehyde, Cyclohexene This acetal has a more powerful odor than carboxaldehyde, yields a Dimethylacetal of the Diethylacetal (see previous monograph) more earthy, mushroom-like character.”📖 Arctander

    Regulatory Status

    IFRA ListedYes — see IFRA Standards for category limits⚖️ IFRA 51
    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: DTXSID5044813

    Physical Properties

    Molecular Weight 138.21 g/mol🔬 PubChem
    Density 0.931 g/cm^3🔬 EPA CTX
    Boiling Point 195.4 °C🔬 EPA CTX
    Flash Point 64.5 °C🔬 EPA CTX

    Partition & Solubility

    LogP (Octanol-Water) 3.1 Log10 unitless🔬 EPA CTX
    Water Solubility 0.003 mol/L🔬 EPA CTX

    Transport Properties

    Vapor Pressure 0.496 mmHg🔬 EPA CTX

    Molecular Descriptors

    Topological Polar Surface Area 17.07 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 1 count💻 Computed
    Rotatable Bonds 1 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 41.71 cm^3/mol💻 Computed

    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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