2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester (CAS 5466-77-3) — Woody Base Note Fragrance Ingredient

ByThe Good Scents
Woody · Sweet

2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

CAS 5466-77-3

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

What Is 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester?

2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester is a synthetic fragrance ingredient used in personal care products and household items. It contributes to the longevity and stability of scents. This ingredient matters because it helps maintain fragrance profiles in products like lotions and detergents, ensuring they smell pleasant over time.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
⚠ Potential sensitizer – check formulations
CAS
5466-77-3
Formula
Mixture
MW
Variable
Odor Family
Woody · Sweet
Layer 1 · Enthusiast

What Does 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester Smell Like?

This synthetic ester offers a subtle, clean aroma with faint floral undertones. It behaves as a fixative, anchoring more volatile top notes while contributing minimal olfactory interference. Over time, it reveals a soft, powdery dry-down reminiscent of well-aged perfumery bases.

Scent Profile
Layer 2

2D Molecular Structure

Octinoxate

SMILES: CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester belongs to the acrylate ester family. It’s synthesized through esterification reactions between methoxyphenyl-substituted acrylic acid and 2-ethylhexanol. The methoxy group provides electron-donating properties that influence both reactivity and odor characteristics.

Physical & Chemical Properties

Molecular WeightNot specified
Boiling PointNot specified

Perfumer Guide

Note Position
Base
Volatility
Low
Blending
Good
ApplicationTypical %RangeNotes
Functional Fragrances1-5%Up to 10%Used as fixative in cleaning products

Classic Accords

Tip: Use as a stabilizer in functional fragrances where longevity is prioritized over olfactory impact.

Alternatives & Comparisons

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA.

RIFM Assessment

No RIFM safety assessment found.

Sustainability

As a synthetic ingredient, its environmental impact depends on manufacturing processes. Typically produced in controlled industrial settings with waste management protocols.

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References

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

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    Ingredient Data Sheet

    CAS 5466-77-3

    Physical Properties

    Molecular Weight290.4 g/mol🔬 PubChem
    LogP (Octanol-Water)5.3🔬 PubChem
    Boiling Point197.8 °C🔬 EPA CompTox
    Vapor Pressure0 mmHg @ 25°C📊 OPERA
    log Kp (skin permeability)-0.708💻 Calculated
    SMILESCCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score13.3 / 5💻 Calculated

    Odor & Flavor

    Functional Groupsesteretheralkenearomatic💻 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: DTXSID1025302

    Physical Properties

    Molecular Weight 290.403 g/mol🔬 EPA CompTox
    Density 1.015 g/cm^3🔬 EPA CTX
    Boiling Point 382 °C🔬 EPA CTX
    Melting Point -46.65 °C🔬 EPA CTX
    Flash Point 167.467 °C📊 OPERA
    Refractive Index 1.515 Dimensionless📊 OPERA
    Molar Volume 290.324 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 6.1 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 5.198 Log10 unitless📊 OPERA
    LogD (pH 7.4) 5.198 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 8.52 Log10 unitless📊 OPERA
    Water Solubility 0 mol/L🔬 EPA CTX
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0 mmHg🔬 EPA CTX
    Surface Tension 36.522 dyn/cm📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 35.53 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 3 count💻 Computed
    Rotatable Bonds 9 count💻 Computed
    Aromatic Rings 1 count💻 Computed
    Molar Refractivity 87.617 cm^3/mol📊 OPERA
    Polarizability 34.734 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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