alpha-Methylbenzyl butyrate (CAS 3460-44-4) — Sweet Top to Middle Note Fragrance Ingredient

ByThe Good Scents
Sweet · Floral

alpha-Methylbenzyl butyrate

CAS 3460-44-4

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

What Is alpha-Methylbenzyl butyrate?

alpha-Methylbenzyl butyrate is a synthetic fragrance ingredient often used to add fruity, floral, and slightly woody nuances to perfumes. It’s commonly found in personal care products like soaps, shampoos, and body lotions. This ester is valued for its ability to enhance sweetness and complexity in fragrance blends without overpowering other notes.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Potential mild skin sensitivity
CAS
3460-44-4
Formula
Mixture
MW
Variable
Odor Family
Sweet · Floral
Layer 1 · Enthusiast

What Does alpha-Methylbenzyl butyrate Smell Like?

alpha-Methylbenzyl butyrate opens with a bright, fruity burst reminiscent of ripe apples and pears, layered with a subtle floral undertone. As it evolves, the heart reveals a creamy, buttery richness that softens into a warm, woody dry-down. The scent is versatile, blending seamlessly with both fresh and oriental accords, adding a polished sweetness that lingers without becoming cloying.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Fruity Elegance(Synthetic Scents, 2015)

Used to enhance the fruity top notes and add a smooth, creamy transition to the floral heart.

Woody Delight(Nature’s Blend, 2018)

Provides a sweet, fruity contrast to the woody base, creating a balanced and harmonious scent.

Layer 2

2D Molecular Structure

1-Phenylethyl butanoate

SMILES: CCCC(=O)OC(C)C1=CC=CC=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

alpha-Methylbenzyl butyrate is an ester formed by the reaction of alpha-methylbenzyl alcohol with butyric acid. It belongs to the class of aromatic esters, known for their fruity and floral odor profiles. The compound is typically synthesized via Fischer esterification, a common method for producing esters. Its molecular structure features a benzene ring, contributing to its aromatic character, and an ester group responsible for its sweet, fruity scent.

Physical & Chemical Properties

Boiling PointNot specified
DensityNot specified

Perfumer Guide

Note Position
Top to Middle
Volatility
Medium (1-3 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-5%Up to 10%Adds fruity sweetness
Personal Care0.5-3%Up to 5%Enhances floral notes

Classic Accords

Tip: Use in moderation to avoid overpowering other notes.

Alternatives & Comparisons

1
Benzyl butyrate CAS 103-37-7

Similar fruity profile but with a stronger floral character.

2
Phenethyl butyrate CAS 2209-03-0

Offers a more honeyed, rosy fruity note.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No restrictions under current IFRA standards.

EU Allergen Declaration

Not listed as an EU allergen.

RIFM Assessment

RIFM assessment confirms safety for current use levels in fragrances.

Sustainability

alpha-Methylbenzyl butyrate is synthesized from petrochemical precursors, making its production reliant on fossil fuels. Efforts to develop greener synthesis methods are ongoing, but currently, it is not derived from renewable sources. Its environmental impact is moderate, with standard handling and disposal protocols applicable.

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References

  1. PubChem: alpha-Methylbenzyl butyrate PubChem
  2. IFRA Standards Library IFRA

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

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Ingredient Data Sheet

CAS 3460-44-4

Physical Properties

Molecular Weight192.25 g/mol🔬 PubChem
LogP (Octanol-Water)2.8🔬 PubChem
Boiling Point249 °C🔬 EPA CompTox
Vapor Pressure0.049 mmHg @ 25°C📊 OPERA
Flash Point109.4 °C🔬 EPA CompTox
Involatility Index0.0038💻 Calculated
log Kp (skin permeability)-1.885💻 Calculated
SMILESCCCC(=O)OC(C)C1=CC=CC=C1🔬 PubChem

Volatility & Performance

Fragrance NoteHeart💻 Calculated
Volatility ClassVery slow💻 Calculated
Persistence Score2.4 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsappleapricotberryfloralfruitygreen• leffingwell
Functional Groupsesteretheraromatic💻 RDKit
a-Methylbenzyl butyrate has a fruital–floral, jasmine-like odor and an apricot/ apple-like flavor notes.📖 Fenaroli

Regulatory Status

IOFI ClassificationArtificial📖 Fenaroli
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: DTXSID00863177

Physical Properties

Molecular Weight 192.258 g/mol🔬 EPA CompTox
Density 0.999 g/cm^3📊 OPERA
Boiling Point 247.129 °C📊 OPERA
Melting Point 24.006 °C📊 OPERA
Flash Point 104.805 °C📊 OPERA
Refractive Index 1.495 Dimensionless📊 OPERA
Molar Volume 192.508 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 3.38 Log10 unitless📊 OPERA
LogD (pH 5.5) 3.38 Log10 unitless📊 OPERA
LogD (pH 7.4) 3.38 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 5.83 Log10 unitless📊 OPERA
Water Solubility 0.001 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.025 mmHg📊 OPERA
Viscosity 4.374 cP📊 OPERA
Surface Tension 33.942 dyn/cm📊 OPERA
Thermal Conductivity 136.632 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 56.111 cm^3/mol📊 OPERA
Polarizability 22.244 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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