Benzenepropanoic acid, a-acetyl-4-hydroxy-3-methoxy-, ethyl ester (CAS 861589-90-4) — Sweet Middle Note Fragrance Ingredient

ByThe Good Scents
Sweet · Floral

Benzenepropanoic acid, a-acetyl-4-hydroxy-3-methoxy-, ethyl ester

CAS 861589-90-4

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

What Is Benzenepropanoic acid, a-acetyl-4-hydroxy-3-methoxy-, ethyl ester?

This synthetic fragrance ingredient is a specialized ester used in modern perfumery. It’s found in niche fragrances where its unique molecular structure contributes to complex accords. The compound matters because it allows perfumers to create novel scent profiles that can’t be achieved with traditional natural materials alone.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ No major restrictions reported
⚠ Limited safety data available
CAS
861589-90-4
Formula
Mixture
MW
Variable
Odor Family
Sweet · Floral
Layer 1 · Enthusiast

What Does Benzenepropanoic acid, a-acetyl-4-hydroxy-3-methoxy-, ethyl ester Smell Like?

This synthetic ester presents a sophisticated olfactory profile with a fruity-floral opening that evolves into a warm, slightly woody dry-down. The initial impression suggests ripe berries with a honeyed undertone, transitioning to a delicate vanillic sweetness reminiscent of tonka bean. In the base, subtle phenolic nuances emerge, adding depth and complexity without overpowering.

Scent Profile
Layer 2

Chemistry, Properties & Perfumer Guide

The Chemistry

This compound belongs to the class of substituted phenylpropanoids, specifically an ethyl ester derivative of acetylated vanillic acid. It’s synthesized through esterification reactions starting from vanillic acid derivatives. The methoxy and acetyl substitutions on the aromatic ring contribute to its unique stability and odor characteristics. While not found in nature, its structural motifs resemble those found in various plant-derived fragrance molecules.

Physical & Chemical Properties

Molecular WeightNot available
Boiling PointNot available

Perfumer Guide

Note Position
Middle
Volatility
Moderate (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Used as modifier in floral-fruity accords
Functional Fragrance0.1-0.5%Up to 1%Adds warmth to detergent scents

Classic Accords

Tip: Use in trace amounts to enhance fruity-floral compositions without dominating.

Alternatives & Comparisons

1
Ethyl vanillin CAS 121-32-4

Provides similar vanillic sweetness but lacks the fruity complexity.

2
Ethyl maltol CAS 4940-11-8

Offers comparable sweet-fruity character with more pronounced caramel notes.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No specific IFRA restrictions currently apply to this material.

RIFM Assessment

Comprehensive safety assessment not yet available from RIFM.

Sustainability

As a synthetic material, this compound avoids natural resource depletion concerns. Production typically involves petrochemical feedstocks, though green chemistry approaches could potentially be applied to its synthesis. The specialized nature of this ingredient means it’s produced in relatively small quantities with minimal environmental impact.

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References

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

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    Ingredient Data Sheet

    CAS 861589-90-4
    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.

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