Isohexenyl cyclohexenyl carboxaldehyde (CAS 37677-14-8) — Floral Heart Note Fragrance Ingredient
Isohexenyl cyclohexenyl carboxaldehyde
CAS 37677-14-8
What Is Isohexenyl cyclohexenyl carboxaldehyde?
Isohexenyl cyclohexenyl carboxaldehyde is a synthetic fragrance ingredient used to add floral and green nuances to perfumes and personal care products. You’ll encounter it in fabric softeners, shampoos, and fine fragrances. This versatile molecule helps create fresh, natural-smelling scents while being more stable than some botanical extracts. It’s particularly valued for mimicking floral notes without the variability of natural sources.
Safety Profile
USE WITH AWARENESSWhat Does Isohexenyl cyclohexenyl carboxaldehyde Smell Like?
A dynamic floral-green chameleon that opens with crisp cucumber-like freshness before revealing a heart of cyclamen and lily-of-the-valley. The drydown develops a subtle powdery-woody character reminiscent of violet roots. Unlike simpler aldehydes, it maintains a rounded quality throughout evaporation – never sharp or metallic, with just enough sweetness to prevent harshness. Particularly effective for adding ‘living flower’ realism to synthetic accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a floral bridge between the aquatic top notes and woody base, contributing to the perfume’s iconic ‘water flower’ illusion without heaviness.
Provides the fresh-washed linen impression in the heart, blending with citrus to create its Mediterranean laundry freshness.
2D Molecular Structure
SMILES: CC(C)=CCCC1=CCC(CC1)C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
A cyclic terpene aldehyde with both cyclohexene and hexene moieties. The conjugated double bond system contributes to its stability and floral character. Typically synthesized via Diels-Alder reactions of myrcene derivatives followed by selective oxidation. The specific stereochemistry at the cyclohexene ring strongly influences odor profile – the trans isomer being preferred for perfumery.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~250 °C (estimated) |
| Flash Point | >100 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral modifier |
| Detergents | 0.1-0.5% | Up to 1% | Freshness booster |
Classic Accords
Tip: Stabilize with 0.1% BHT to prevent oxidation during storage.
Alternatives & Comparisons
More ozonic and diffusive for laundry-type applications where extreme freshness is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA 49th Amendment. Maximum recommended use level 5% in leave-on products.
EU Allergen Declaration
Not listed in EU allergen regulation (EC) No 1223/2009.
GHS Classification
RIFM Assessment
RIFM assessment completed in 2018 confirming safe use at current industry levels.
Sustainability
Synthetic production avoids agricultural land use and seasonal variability. The manufacturing process has been optimized to reduce solvent waste, with >85% atom economy in modern synthesis routes.
Explore Isohexenyl cyclohexenyl carboxaldehyde
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Brenna et al. (2012). Structure-Odor Relationships in Cyclic Terpene Aldehydes. Flavour and Fragrance Journal. DOI:10.1002/ffj.2105
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 37677-14-8Physical Properties
| Molecular Weight | 192.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 228 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.743💻 Calculated |
| SMILES | CC(=CCCC1=CCC(CC1)C=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | aldehydiccitrusfloral• leffingwell |
| Functional Groups | aldehydealkene💻 RDKit |
| “and it is questionable if one can make that statement even today. It is beyond doubt, that the aldehyde has an excellent influence upon Bergamot and other citrusy odors, and that its effect includes the "aldehydic" top-note effect to a certain degree. It performs well in soap and adds freshness to a wide range of odor types from Pine needle to Muguet, from Violet to Lilac, etc. Its very low cost makes it a candidate for industrial masking, detergent fragrances and many other large-volume product”📖 Arctander | |
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: DTXSID4052051
Physical Properties
| Molecular Weight | 192.302 g/mol🔬 EPA CompTox |
| Density | 0.933 g/cm^3📊 OPERA |
| Boiling Point | 228 °C🔬 EPA CTX |
| Melting Point | 11.363 °C📊 OPERA |
| Flash Point | 100.365 °C📊 OPERA |
| Refractive Index | 1.524 Dimensionless📊 OPERA |
| Molar Volume | 201.331 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.7 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.977 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.977 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.9 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.055 mmHg📊 OPERA |
| Viscosity | 3.714 cP📊 OPERA |
| Surface Tension | 36.777 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.089 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 | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 61.638 cm^3/mol📊 OPERA |
| Polarizability | 24.435 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.
Related Research
- Glycolic Acid (CAS 79-14-1) — Citrus Top Note Fragrance Ingredient
- Furan, 2-(1,1-Dimethylethyl)-2,5-dihydro-5-methyl-2-propyl-, (2S,5R)- (CAS 1092785-68-6) — Citrus Unknown Note Fragrance Ingredient
- Sulfuric acid (CAS 7664-93-9) — Citrus N/A Note Fragrance Ingredient
- 2-Methyltetrahydrofuran-3-one (CAS 3188-00-9) — Sweet Middle to base Note Fragrance Ingredient
