Propanedioic acid, 1-(3,3-dimethylcyclohexyl) ethyl, ethyl ester (CAS 478695-70-4) — Woody Heart to Base Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

Propanedioic acid, 1-(3,3-dimethylcyclohexyl) ethyl, ethyl ester

CAS 478695-70-4

Origin
synthetic
Note
Heart to Base
IFRA
Use with awareness
Data as of: Apr 2026

What Is Propanedioic acid, 1-(3,3-dimethylcyclohexyl) ethyl, ethyl ester?

Propanedioic acid, 1-(3,3-dimethylcyclohexyl) ethyl, ethyl ester is a synthetic fragrance ingredient used in modern perfumery. It is typically found in fine fragrances and personal care products. This compound contributes to sophisticated, long-lasting scent profiles, often enhancing woody or ambery accords.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Safe in regulated concentrations
⚠ Limited safety data available
CAS
478695-70-4
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does Propanedioic acid, 1-(3,3-dimethylcyclohexyl) ethyl, ethyl ester Smell Like?

This synthetic ester offers a complex olfactory profile, blending woody, slightly fruity, and ambery nuances. Initially, it presents a crisp, slightly green top note that evolves into a warm, rounded heart with subtle sweetness. The dry-down reveals a persistent woody-amber character, adding depth and longevity to fragrance compositions. Its versatility makes it suitable for modern oriental and woody accords.

Scent Profile
Layer 2

2D Molecular Structure

Propanedioic acid, 1-[1-(3,3-dimethylcyclohexyl)ethyl] 3-ethyl ester

SMILES: CCOC(=O)CC(=O)OC(C)C1CCCC(C)(C)C1

Chemistry, Properties & Perfumer Guide

The Chemistry

Propanedioic acid, 1-(3,3-dimethylcyclohexyl) ethyl, ethyl ester belongs to the ester class of organic compounds, specifically a diester of propanedioic acid. It is entirely synthetic with no known natural occurrence. The synthesis likely involves esterification of propanedioic acid with appropriate alcohols under acidic conditions. The 3,3-dimethylcyclohexyl moiety contributes to its woody character and molecular stability.

Physical & Chemical Properties

Perfumer Guide

Note Position
Heart to Base
Volatility
Moderate (2-6 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%For woody-ambery accords
Personal Care0.5-1.5%Up to 2%Adds longevity

Classic Accords

Tip: Use as a bridge between top notes and deeper base materials for seamless transitions.

Alternatives & Comparisons

1
Ambroxan CAS 6790-58-5

For stronger ambery effects with higher tenacity.

2
Norlimbanol CAS 70788-30-6

When a more pronounced woody character is desired.

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 amendments as of 2023.

RIFM Assessment

Under review by RIFM. Limited toxicological data available.

Sustainability

As a fully synthetic material, this compound has no direct environmental impact from harvesting. Production follows standard chemical industry protocols. The carbon footprint depends on manufacturing efficiency and energy sources. Being a relatively new material, lifecycle assessments are still pending.

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References

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

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    Ingredient Data Sheet

    CAS 478695-70-4

    Physical Properties

    Molecular Weight270.36 g/mol🔬 PubChem
    LogP (Octanol-Water)4🔬 PubChem
    Boiling Point301 °C🔬 EPA CompTox
    Vapor Pressure0.0001 mmHg @ 25°C📊 OPERA
    Flash Point143.8 °C🔬 EPA CompTox
    log Kp (skin permeability)-1.509💻 Calculated
    SMILESCCOC(=O)CC(=O)OC(C)C1CCCC(C1)(C)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score9.5 / 5💻 Calculated

    Odor & Flavor

    Functional Groupsesterether💻 RDKit
    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: DTXSID10889186

    Physical Properties

    Molecular Weight 270.369 g/mol🔬 EPA CompTox
    Density 1.006 g/cm^3📊 OPERA
    Boiling Point 306.113 °C📊 OPERA
    Melting Point -21.158 °C📊 OPERA
    Flash Point 143.528 °C📊 OPERA
    Refractive Index 1.453 Dimensionless📊 OPERA
    Molar Volume 269.969 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 4.335 Log10 unitless📊 OPERA
    LogD (pH 5.5) 4.335 Log10 unitless📊 OPERA
    LogD (pH 7.4) 4.331 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 7.38 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0 mmHg📊 OPERA
    Viscosity 8.279 cP📊 OPERA
    Surface Tension 31.339 dyn/cm📊 OPERA
    Thermal Conductivity 131.702 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 52.6 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 4 count💻 Computed
    Rotatable Bonds 5 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 72.938 cm^3/mol📊 OPERA
    Polarizability 28.915 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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