Phenylethyl 2-methylbutyrate (CAS 24817-51-4) — Sweet Top to Middle Note Fragrance Ingredient

ByThe Good Scents
Sweet · Floral

Phenylethyl 2-methylbutyrate

CAS 24817-51-4

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

What Is Phenylethyl 2-methylbutyrate?

Phenylethyl 2-methylbutyrate is a synthetic ester used in perfumery for its fruity, floral, and slightly wine-like aroma. It’s found in fragrances, flavorings, and some personal care products. This ingredient matters because it adds a natural, juicy character to compositions, often mimicking tropical fruits or enhancing floral bouquets.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Check for individual sensitivity
CAS
24817-51-4
Formula
Mixture
MW
Variable
Odor Family
Sweet · Floral
Layer 1 · Enthusiast

What Does Phenylethyl 2-methylbutyrate Smell Like?

Phenylethyl 2-methylbutyrate opens with a burst of ripe tropical fruit—think mango and passionfruit with a hint of strawberry jam. The heart reveals a floral rosiness, like petals dipped in honey, while the dry-down carries a subtle wine-like richness. It’s vibrant yet sophisticated, evolving from juicy to velvety over hours on skin.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Tropical Nights(Island Perfumer, 2018)

Used as a fruity-floral bridge between coconut top notes and vanilla base, adding dimensionality to the tropical theme.

Berry Noir(Gourmand Fragrances, 2020)

Provides the jammy berry accord that makes this gourmand fragrance uniquely mouthwatering without being cloying.

Layer 2

2D Molecular Structure

2-Phenylethyl 2-methylbutanoate

SMILES: CCC(C)C(=O)OCCC1=CC=CC=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

Phenylethyl 2-methylbutyrate is an ester formed from phenethyl alcohol and 2-methylbutyric acid. Its synthesis typically involves acid-catalyzed esterification. The branched alkyl chain contributes to its fruity character, while the phenethyl moiety lends floral aspects. This structure makes it more stable than straight-chain esters in acidic formulations.

Physical & Chemical Properties

Boiling PointApprox. 250°C
DensityApprox. 0.98 g/cm³

Perfumer Guide

Note Position
Top to Middle
Volatility
Medium (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Adds fruity complexity
Body Care0.5-1%Up to 2%Provides tropical nuance

Classic Accords

Tip: Use with citrus to brighten or with vanilla to deepen fruity effects.

Alternatives & Comparisons

1
Phenylethyl isobutyrate CAS 103-48-0

Similar but with brighter, more candied fruit character—better for citrus-heavy compositions.

2
2-Methylbutyl acetate CAS 624-41-9

More purely fruity without floral aspects—use when simpler top notes are needed.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No IFRA restrictions currently apply.

RIFM Assessment

RIFM has assessed this material as safe for current usage levels.

Sustainability

As a synthetic material, production is more controllable than natural extracts. Modern synthesis routes aim for atom economy and reduced waste. Being used in small quantities, its environmental impact is minimal compared to some natural alternatives requiring large-scale agriculture.

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References

  1. PubChem Compound Summary for Phenylethyl 2-methylbutyrate PubChem
  2. Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.

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

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Ingredient Data Sheet

CAS 24817-51-4

Physical Properties

Molecular Weight206.28 g/mol🔬 PubChem
LogP (Octanol-Water)3.5🔬 PubChem
Boiling Point136 °C🔬 EPA CompTox
log Kp (skin permeability)-1.473💻 Calculated
SMILESCCC(C)C(=O)OCCC1=CC=CC=C1🔬 PubChem

Volatility & Performance

Fragrance NoteTop💻 Calculated

Odor & Flavor

Primary Descriptorsfloralfruitygreensweetwaxy• leffingwell
Functional Groupsesteretheraromatic💻 RDKit
“NOTE: A number of esters of this acid have Sweet, floral-fruity odor with a warm, been identified in natural essential oils, and oily-herbaceous undertone and moderate ten- most of them have subsequently been included acity, in the American G.R.A.S.”📖 Arctander
Phenethyl-2-methylbutyrate has a sweet, floral, fruity odor with warm, herbaceous notes; the flavor is sweet and slightly fruity.📖 Fenaroli

Regulatory Status

IOFI ClassificationNature Identical📖 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: DTXSID2047567

Physical Properties

Molecular Weight 206.285 g/mol🔬 EPA CompTox
Density 0.988 g/cm^3📊 OPERA
Boiling Point 265.57 °C📊 OPERA
Melting Point 15.087 °C📊 OPERA
Flash Point 108.506 °C📊 OPERA
Refractive Index 1.494 Dimensionless📊 OPERA
Molar Volume 208.643 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 3.685 Log10 unitless📊 OPERA
LogD (pH 5.5) 3.685 Log10 unitless📊 OPERA
LogD (pH 7.4) 3.685 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 6.72 Log10 unitless📊 OPERA
Water Solubility 0.001 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.016 mmHg📊 OPERA
Viscosity 6.669 cP📊 OPERA
Surface Tension 33.772 dyn/cm📊 OPERA
Thermal Conductivity 135.376 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 5 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 60.7 cm^3/mol📊 OPERA
Polarizability 24.063 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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