1,2-Cyclopentanedione, 3,4,4-trimethyl- (CAS 33079-56-0) — Sweet Base Note Fragrance Ingredient

ByThe Good Scents
Sweet · Woody

1,2-Cyclopentanedione, 3,4,4-trimethyl-

CAS 33079-56-0

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

What Is 1,2-Cyclopentanedione, 3,4,4-trimethyl-?

1,2-Cyclopentanedione, 3,4,4-trimethyl- is a synthetic fragrance ingredient used in perfumes and flavored products. It contributes a unique olfactory character that enhances various fragrance compositions. This molecule is valued for its ability to add depth and complexity to scents, making it a versatile tool for perfumers.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Safe in regulated concentrations
⚠ Limited safety data available
CAS
33079-56-0
Formula
Mixture
MW
Variable
Odor Family
Sweet · Woody
Layer 1 · Enthusiast

What Does 1,2-Cyclopentanedione, 3,4,4-trimethyl- Smell Like?

This molecule offers a complex olfactory profile, often described as having caramel-like, nutty, and slightly woody nuances. It evolves on the skin, starting with a sweet, slightly burnt sugar top note, transitioning into a heart with roasted coffee and toasted almond facets, and settling into a warm, woody base. Its dry-down is smooth and persistent, adding richness to fragrance compositions.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Unknown(Unknown, 0)

This ingredient is used as a modifier in various gourmand and woody fragrances to enhance depth and complexity.

Layer 2

2D Molecular Structure

3,4,4-Trimethylcyclopentane-1,2-dione

SMILES: CC1C(=O)C(=O)CC1(C)C

Chemistry, Properties & Perfumer Guide

The Chemistry

1,2-Cyclopentanedione, 3,4,4-trimethyl- is a cyclic diketone with a five-membered ring structure. It is synthesized through chemical processes involving cyclization and methylation reactions. The molecule’s structure contributes to its unique olfactory properties, making it a valuable ingredient in fragrance formulations.

Physical & Chemical Properties

Boiling PointN/A
DensityN/A

Perfumer Guide

Note Position
Base
Volatility
Low (hours to days)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Adds depth and complexity

Classic Accords

Tip: Use sparingly to avoid overpowering other notes.

Alternatives & Comparisons

1
Cyclotene CAS 765-70-8

A similar cyclic diketone with maple-like notes, used when a sweeter profile is desired.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No specific IFRA restrictions identified.

RIFM Assessment

Limited safety assessment data available.

Sustainability

As a synthetic molecule, its production is controlled in laboratory settings, minimizing environmental impact compared to some natural extracts. Its synthetic origin ensures consistent quality and supply.

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References

  1. No specific references available.

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

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Ingredient Data Sheet

CAS 33079-56-0

Physical Properties

Molecular Weight140.18 g/mol🔬 PubChem
LogP (Octanol-Water)1🔬 PubChem
log Kp (skin permeability)-2.845💻 Calculated
SMILESCC1C(=O)C(=O)CC1(C)C🔬 PubChem

Odor & Flavor

Primary Descriptorssweetwoody• leffingwell
Functional Groupsketone💻 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: DTXSID8052015

Physical Properties

Molecular Weight 140.182 g/mol🔬 EPA CompTox
Density 0.989 g/cm^3📊 OPERA
Boiling Point 194.099 °C📊 OPERA
Melting Point 57.318 °C📊 OPERA
Flash Point 66.288 °C📊 OPERA
Refractive Index 1.446 Dimensionless📊 OPERA
Molar Volume 140.117 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 1.059 Log10 unitless📊 OPERA
LogD (pH 5.5) 1.059 Log10 unitless📊 OPERA
LogD (pH 7.4) 1.059 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 4.32 Log10 unitless📊 OPERA
Water Solubility 0.053 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.476 mmHg📊 OPERA
Viscosity 1.663 cP📊 OPERA
Surface Tension 30.369 dyn/cm📊 OPERA
Thermal Conductivity 137.741 mW/(m*K)📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 34.14 Ų💻 Computed
H-Bond Donors 0 count💻 Computed
H-Bond Acceptors 2 count💻 Computed
Rotatable Bonds 0 count💻 Computed
Aromatic Rings 0 count💻 Computed
Molar Refractivity 37.349 cm^3/mol📊 OPERA
Polarizability 14.806 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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