3-Phenylpropyl 2-(4-hydroxy-3-methoxyphenyl)acetate (CAS 105025-99-8) — Sweet Middle to Base Note Fragrance Ingredient

ByThe Good Scents
Sweet · Spicy

3-Phenylpropyl 2-(4-hydroxy-3-methoxyphenyl)acetate

CAS 105025-99-8

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

What Is 3-Phenylpropyl 2-(4-hydroxy-3-methoxyphenyl)acetate?

3-Phenylpropyl 2-(4-hydroxy-3-methoxyphenyl)acetate is a synthetic fragrance ingredient used in high-end perfumes and personal care products. It contributes to complex floral and spicy accords. This ingredient matters because it adds depth and longevity to fragrances, often enhancing vanilla or woody bases with subtle phenolic nuances.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ No major restrictions in current IFRA guidelines
⚠ Limited safety data available
CAS
105025-99-8
Formula
Mixture
MW
Variable
Odor Family
Sweet · Spicy
Layer 1 · Enthusiast

What Does 3-Phenylpropyl 2-(4-hydroxy-3-methoxyphenyl)acetate Smell Like?

This synthetic molecule presents a rich, complex profile with initial phenolic warmth reminiscent of clove bud, evolving into a heart of creamy vanillic sweetness with a hint of dried fruit. The dry-down reveals a persistent woody-balsamic character, like aged cedarwood infused with honeyed tobacco. It behaves as a subtle fixative, adding tenacity to floral compositions without overpowering delicate notes.

Scent Profile
Layer 2

2D Molecular Structure

3-Phenylpropyl homovanillate

SMILES: COC1=C(O)C=CC(CC(=O)OCCCC2=CC=CC=C2)=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

3-Phenylpropyl 2-(4-hydroxy-3-methoxyphenyl)acetate is a synthetic ester combining phenylpropanol with a modified vanillic acid moiety. The methoxy and hydroxy substitution pattern on the aromatic ring creates unique electronic effects that influence its odor properties. Industrial synthesis typically involves esterification under acidic conditions, with careful control of temperature to prevent decomposition of the phenolic groups.

Physical & Chemical Properties

AppearanceColorless to pale yellow viscous liquid
SolubilitySoluble in ethanol and oils, poorly soluble in water

Perfumer Guide

Note Position
Middle to Base
Volatility
Medium (2-6 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Used as a modifier in oriental bases
Home Care0.1-0.5%Up to 1%Adds warmth to fabric conditioners

Classic Accords

Tip: Use in trace amounts to enhance vanilla notes without introducing phenolic harshness.

Alternatives & Comparisons

1
Ethyl vanillin CAS 121-32-4

For stronger vanilla character without phenolic depth

2
Eugenyl phenylacetate CAS 10402-33-2

Similar spicy-floral profile with better solubility

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted under IFRA standards. No specific usage limits established.

RIFM Assessment

No published RIFM safety assessment available for this specific compound.

Sustainability

As a synthetic material, this ingredient avoids natural resource depletion but requires petrochemical feedstocks. Production should follow green chemistry principles to minimize environmental impact. Being highly potent, it has favorable carbon footprint per unit of odor impact compared to some natural alternatives.

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References

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

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    Ingredient Data Sheet

    CAS 105025-99-8

    Physical Properties

    Molecular Weight300.3 g/mol🔬 PubChem
    LogP (Octanol-Water)3.6🔬 PubChem
    Boiling Point394.9 °C🔬 EPA CompTox
    Vapor Pressure0 mmHg @ 25°C📊 OPERA
    Flash Point181.2 °C🔬 EPA CompTox
    log Kp (skin permeability)-1.976💻 Calculated
    SMILESCOC1=C(C=CC(=C1)CC(=O)OCCCC2=CC=CC=C2)O🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated

    Odor & Flavor

    Functional Groupsesterphenoletheraromatic💻 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: DTXSID201504667

    Physical Properties

    Molecular Weight 300.354 g/mol🔬 EPA CompTox
    Density 1.162 g/cm^3📊 OPERA
    Boiling Point 394.891 °C📊 OPERA
    Melting Point 80.786 °C📊 OPERA
    Flash Point 181.183 °C📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 3.119 dimensionless💻 Computed
    Water Solubility 0 mol/L📊 OPERA

    Transport Properties

    Vapor Pressure 0 mmHg📊 OPERA
    Viscosity 58.829 cP📊 OPERA
    Surface Tension 43.195 dyn/cm📊 OPERA
    Thermal Conductivity 153.587 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 55.76 Ų💻 Computed
    H-Bond Donors 1 count💻 Computed
    H-Bond Acceptors 4 count💻 Computed
    Rotatable Bonds 7 count💻 Computed
    Aromatic Rings 2 count💻 Computed
    Molar Refractivity 84.08 cm^3/mol💻 Computed

    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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