Methyl hexyl oxo cyclopentanone carboxylate (CAS 37172-53-5) — Green Top to middle Note Fragrance Ingredient

ByThe Good Scents
Green · Woody

Methyl hexyl oxo cyclopentanone carboxylate

CAS 37172-53-5

Origin
synthetic
Note
Top to middle
IFRA
Generally safe
Data as of: Apr 2026

What Is Methyl hexyl oxo cyclopentanone carboxylate?

Methyl hexyl oxo cyclopentanone carboxylate is a synthetic fragrance ingredient used in modern perfumery. You’ll encounter it in fresh, aquatic, and ozonic fragrances where it contributes crisp, marine-like effects. This molecule matters because it helps create the illusion of ocean breezes and clean linens without relying on traditional marine ingredients that can be unstable or cause skin sensitivities.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major restrictions in current IFRA standards
⚠ Limited toxicology data available
CAS
37172-53-5
Formula
Mixture
MW
Variable
Odor Family
Green · Woody
Layer 1 · Enthusiast

What Does Methyl hexyl oxo cyclopentanone carboxylate Smell Like?

This synthetic molecule delivers a strikingly modern olfactory profile – imagine the crispness of freshly laundered linen drying in an ocean breeze. It opens with a sharp, almost metallic cleanliness that evolves into a rounded marine character, neither fishy nor seaweed-like but rather the abstract idea of purity. The dry-down reveals subtle woody-ambery facets that prevent the fragrance from becoming too sterile. Performance is moderate, with good diffusion in the first hour before settling closer to skin.

Scent Profile
Layer 2

2D Molecular Structure

Methyl 2-hexyl-3-oxocyclopentanecarboxylate

SMILES: CCCCCCC1C(CCC1=O)C(=O)OC

Chemistry, Properties & Perfumer Guide

The Chemistry

Methyl hexyl oxo cyclopentanone carboxylate belongs to the cyclopentanone class of synthetic aroma chemicals. While the exact synthesis route is proprietary, similar compounds are typically produced through esterification reactions of cyclopentanone derivatives with appropriate alcohol components. The hexyl side chain provides substantivity while the ester group contributes to diffusion properties. Unlike many marine ingredients, this molecule avoids the use of sulfur-containing functional groups that can cause stability issues.

Physical & Chemical Properties

AppearanceColorless to pale yellow liquid
Odor TypeMarine, ozonic, clean

Perfumer Guide

Note Position
Top to middle
Volatility
Medium (2-4 hours)
Blending
Good with citrus and woody notes
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Fresh top note component
Functional Fragrances0.5-2%Up to 3%Laundry and cleaning products

Classic Accords

Tip: Use with citrus top notes to enhance diffusion and marine character.

Alternatives & Comparisons

1
Calone CAS 28940-11-6

More intense watermelon-marine character but can be overpowering at high concentrations.

2
Dihydroisojasmonate CAS 24851-98-7

Softer marine effect with floral undertones, better for skin-sensitive formulations.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No current IFRA restrictions. Not listed in any amendment as of 2023.

RIFM Assessment

Complete toxicological assessment not yet available through RIFM.

Sustainability

As a synthetic material, this ingredient avoids harvesting pressure on natural resources. Production typically uses petrochemical feedstocks, though some manufacturers may employ green chemistry principles to reduce environmental impact. The molecule’s potency means relatively small quantities are needed in formulations, reducing overall carbon footprint compared to less powerful alternatives.

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References

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

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    Ingredient Data Sheet

    CAS 37172-53-5

    Physical Properties

    Molecular Weight226.31 g/mol🔬 PubChem
    LogP (Octanol-Water)3🔬 PubChem
    Boiling Point296 °C🔬 EPA CompTox
    Vapor Pressure0.0003 mmHg @ 25°C📊 OPERA
    Flash Point123.4 °C🔬 EPA CompTox
    log Kp (skin permeability)-1.95💻 Calculated
    SMILESCCCCCCC1C(CCC1=O)C(=O)OC🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score6.8 / 5💻 Calculated

    Odor & Flavor

    Primary Descriptorsgreenwoody• leffingwell
    Functional Groupsketoneesterether💻 RDKit

    Trade Names

    Dihydro isojasmonate📖 Surburg
    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: DTXSID5052048

    Physical Properties

    Molecular Weight 226.316 g/mol🔬 EPA CompTox
    Density 0.994 g/cm^3🔬 EPA CTX
    Boiling Point 296 °C🔬 EPA CTX
    Melting Point 0.47 °C📊 OPERA
    Flash Point 127.333 °C📊 OPERA
    Refractive Index 1.46 Dimensionless📊 OPERA
    Molar Volume 226.424 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 3.2 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 3.226 Log10 unitless📊 OPERA
    LogD (pH 7.4) 3.226 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 7.33 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L🔬 EPA CTX
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0 mmHg🔬 EPA CTX
    Viscosity 5.86 cP📊 OPERA
    Surface Tension 32.673 dyn/cm📊 OPERA
    Thermal Conductivity 137.991 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 43.37 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 3 count💻 Computed
    Rotatable Bonds 6 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 61.998 cm^3/mol📊 OPERA
    Polarizability 24.578 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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