4-(4-Methoxyphenyl)-3-methylbutan-2-one (CAS 67828-19-7) — Woody Middle to Base Note Fragrance Ingredient

ByThe Good Scents
Woody · Sweet

4-(4-Methoxyphenyl)-3-methylbutan-2-one

CAS 67828-19-7

Origin
synthetic
Note
Middle to Base
IFRA
Generally safe
Data as of: Apr 2026

What Is 4-(4-Methoxyphenyl)-3-methylbutan-2-one?

4-(4-Methoxyphenyl)-3-methylbutan-2-one is a synthetic fragrance ingredient used in perfumes and personal care products. It adds a warm, slightly sweet, and woody character to fragrances. This ingredient is valued for its ability to enhance and round out floral and oriental compositions, providing depth and longevity.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ No known allergens
CAS
67828-19-7
Formula
Mixture
MW
Variable
Odor Family
Woody · Sweet
Layer 1 · Enthusiast

What Does 4-(4-Methoxyphenyl)-3-methylbutan-2-one Smell Like?

This molecule offers a warm, slightly sweet, and woody aroma with a subtle floral undertone. It evolves from a fresh, slightly spicy top note to a heart of warm, woody sweetness, settling into a soft, lingering base. The dry-down is smooth and slightly powdery, making it versatile in various fragrance types.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Unknown(Unknown, 0)

This ingredient is used to add warmth and depth to floral and oriental fragrances, enhancing their longevity and complexity.

Layer 2

2D Molecular Structure

2-Butanone, 4-(4-methoxyphenyl)-3-methyl-

SMILES: COC1=CC=C(CC(C)C(C)=O)C=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

4-(4-Methoxyphenyl)-3-methylbutan-2-one is a synthetic aromatic ketone. It is synthesized through Friedel-Crafts acylation or other related organic reactions. The presence of the methoxy group contributes to its sweet, woody character, while the ketone group adds depth and warmth.

Physical & Chemical Properties

Boiling PointN/A
DensityN/A

Perfumer Guide

Note Position
Middle to Base
Volatility
Moderate (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-5%Up to 10%Adds warmth and depth

Classic Accords

Tip: Use in small amounts to enhance warmth and longevity in floral and oriental compositions.

Alternatives & Comparisons

1
Benzyl Acetone CAS 2550-26-7

Offers a similar sweet, floral character but with less woody depth.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No IFRA restrictions.

RIFM Assessment

No specific RIFM assessment found.

Sustainability

As a synthetic ingredient, it is produced in controlled environments with minimal environmental impact. Sourcing is consistent and does not rely on natural resources.

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References

  1. PubChem. 4-(4-Methoxyphenyl)-3-methylbutan-2-one. PubChem

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

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Ingredient Data Sheet

CAS 67828-19-7

Physical Properties

Molecular Weight192.25 g/mol🔬 PubChem
LogP (Octanol-Water)2.4🔬 PubChem
Boiling Point272 °C🔬 EPA CompTox
Vapor Pressure0.0166 mmHg @ 25°C📊 OPERA
Flash Point113.7 °C🔬 EPA CompTox
Involatility Index0.0013💻 Calculated
log Kp (skin permeability)-2.169💻 Calculated
SMILESCC(CC1=CC=C(C=C1)OC)C(=O)C🔬 PubChem

Volatility & Performance

Fragrance NoteHeart💻 Calculated
Volatility ClassVery slow💻 Calculated
Persistence Score3 / 5💻 Calculated

Odor & Flavor

Primary Descriptorssweetwoody• leffingwell
Functional Groupsketoneetheraromatic💻 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: DTXSID80867355

Physical Properties

Molecular Weight 192.258 g/mol🔬 EPA CompTox
Density 1.006 g/cm^3📊 OPERA
Boiling Point 279.116 °C📊 OPERA
Melting Point 10.024 °C📊 OPERA
Flash Point 114.036 °C📊 OPERA
Refractive Index 1.495 Dimensionless📊 OPERA
Molar Volume 193.27 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 2.622 Log10 unitless📊 OPERA
LogD (pH 5.5) 2.622 Log10 unitless📊 OPERA
LogD (pH 7.4) 2.622 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 6.56 Log10 unitless📊 OPERA
Water Solubility 0.004 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.008 mmHg📊 OPERA
Viscosity 4.207 cP📊 OPERA
Surface Tension 33.769 dyn/cm📊 OPERA
Thermal Conductivity 140.46 mW/(m*K)📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 26.3 Ų💻 Computed
H-Bond Donors 0 count💻 Computed
H-Bond Acceptors 2 count💻 Computed
Rotatable Bonds 4 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 56.367 cm^3/mol📊 OPERA
Polarizability 22.346 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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