Cyclohexenecarboxaldehyde, dimethyl- (CAS 68084-52-6) — Green Top to middle Note Fragrance Ingredient

ByThe Good Scents
Green · Woody

Cyclohexenecarboxaldehyde, dimethyl-

CAS 68084-52-6

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

What Is Cyclohexenecarboxaldehyde, dimethyl-?

Cyclohexenecarboxaldehyde, dimethyl- is a synthetic fragrance ingredient primarily used in perfumery. It’s found in various consumer products like fine fragrances, body care items, and household cleaners. This compound contributes unique green, slightly woody, and aldehydic notes to fragrance compositions, making it valuable for creating fresh and modern scent profiles.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ IFRA-compliant usage levels
⚠ Potential sensitizer at high concentrations
CAS
68084-52-6
Formula
Mixture
MW
Variable
Odor Family
Green · Woody
Layer 1 · Enthusiast

What Does Cyclohexenecarboxaldehyde, dimethyl- Smell Like?

Cyclohexenecarboxaldehyde, dimethyl- presents a crisp, green character with aldehydic sharpness reminiscent of crushed leaves and fresh cucumber peel. The opening is vibrant and slightly metallic, evolving into a more rounded, woody-herbal heart. As it dries down, it reveals subtle floral undertones and a clean, soapy finish. The overall effect is modern and airy, like walking through a greenhouse after morning watering, with lingering traces of wet stone and damp earth.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Vent Vert(Balmain, 1947)

Used to enhance the hyper-realistic green accord, contributing sharp vegetal facets that mimic crushed galbanum leaves.

Eau Sauvage(Dior, 1966)

Provides crisp green counterpoint to citrus top notes and herbal heart, adding dimensionality to the classic cologne structure.

Layer 2

2D Molecular Structure

Dimethylcyclohexenecarbaldehyde

SMILES: CC1CCC=C(C)C1C=O

Chemistry, Properties & Perfumer Guide

The Chemistry

Cyclohexenecarboxaldehyde, dimethyl- belongs to the cycloaliphatic aldehydes class, synthesized through Diels-Alder reactions of appropriate dienes with acrolein derivatives followed by methylation. The molecule features a cyclohexene ring with aldehyde and two methyl substituents, creating structural rigidity that contributes to its tenacious green odor profile. The specific positioning of substituents significantly impacts odor characteristics through steric effects on receptor binding.

Physical & Chemical Properties

AppearanceClear colorless to pale yellow liquid
Boiling PointApprox. 200-220 °C (estimated)

Perfumer Guide

Note Position
Top to middle
Volatility
Medium (1-3 hours)
Blending
Good with citrus and woody materials
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 3%For green modern accords
Functional Products0.1-0.5%Up to 1%Limited by potential sensitization

Classic Accords

Tip: Stabilize in ethanol before adding to water-based systems to prevent aldehyde polymerization.

Alternatives & Comparisons

1
Verdox CAS 88-41-5

Less aldehydic but similar green character with better stability in functional products.

2
Triplal CAS 68039-49-6

More intense green leaf character with higher impact at lower concentrations.

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 (Amendment 49).

GHS Classification

H315 Skin irritation H319 Eye irritation

RIFM Assessment

Under evaluation by RIFM (2021 priority list). Limited data available.

Sustainability

Synthetic production from petrochemical feedstocks raises environmental concerns, though manufacturing efficiency minimizes waste. Future green chemistry routes being explored using bio-based platform chemicals. Not known to bioaccumulate but requires careful wastewater management due to potential aquatic toxicity.

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References

  1. Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.

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

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Ingredient Data Sheet

CAS 68084-52-6

Physical Properties

Molecular Weight138.21 g/mol🔬 PubChem
LogP (Octanol-Water)1.8🔬 PubChem
Boiling Point203 °C🔬 EPA CompTox
Vapor Pressure0.309 mmHg @ 25°C📊 OPERA
Flash Point61 °C🔬 EPA CompTox
Involatility Index0.0283💻 Calculated
log Kp (skin permeability)-2.265💻 Calculated
SMILESCC1CCC=C(C1C=O)C🔬 PubChem

Volatility & Performance

Fragrance NoteHeart💻 Calculated
Volatility ClassSlow💻 Calculated
Persistence Score0.7 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsgreenwoody• leffingwell
Functional Groupsaldehydealkene💻 RDKit

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: DTXSID70867465

Physical Properties

Molecular Weight 138.21 g/mol🔬 EPA CompTox
Density 0.951 g/cm^3📊 OPERA
Boiling Point 193.512 °C📊 OPERA
Melting Point -1.306 °C📊 OPERA
Flash Point 61.218 °C📊 OPERA
Refractive Index 1.512 Dimensionless📊 OPERA
Molar Volume 144.3 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 2.847 Log10 unitless📊 OPERA
LogD (pH 5.5) 2.847 Log10 unitless📊 OPERA
LogD (pH 7.4) 2.847 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 4.32 Log10 unitless📊 OPERA
Water Solubility 0.012 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.485 mmHg📊 OPERA
Viscosity 2.09 cP📊 OPERA
Surface Tension 34.448 dyn/cm📊 OPERA
Thermal Conductivity 126.27 mW/(m*K)📊 OPERA

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 43.295 cm^3/mol📊 OPERA
Polarizability 17.164 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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