Methyl butyrate (CAS 623-42-7) — Sweet Top Note Fragrance Ingredient

ByThe Good Scents
Sweet · Citrus

Methyl butyrate

CAS 623-42-7

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

What Is Methyl butyrate?

Methyl butyrate is a fruity-smelling compound often found in artificial fruit flavors and perfumes. You might recognize it from pineapple candies or tropical-scented body products. This ingredient matters because it creates authentic, juicy fruit impressions without using actual fruit extracts, making fragrances more affordable and consistent.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ GRAS (Generally Recognized As Safe) for food use
⚠ Flammable liquid – store properly
CAS
623-42-7
Formula
Mixture
MW
Variable
Odor Family
Sweet · Citrus
Layer 1 · Enthusiast

What Does Methyl butyrate Smell Like?

Methyl butyrate bursts with an intensely sweet, jammy pineapple aroma that’s almost candied in its brightness. The initial impression is like biting into a perfectly ripe golden pineapple, with juicy, slightly fermented undertones that prevent it from being cloying. As it evolves, it reveals a creamy, almost dairy-like nuance reminiscent of pineapple upside-down cake. The dry-down is surprisingly clean, leaving a faint trace of tropical fruit leather and a whisper of rum-like warmth.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Virgin Island Water(Creed, 2007)

Used to amplify the cocktail-like pineapple rum accord, methyl butyrate adds a photorealistic tropical fruit note that blends seamlessly with coconut and lime.

Pineapple Vintage(Parfums Vintage, 2014)

This Aventus-inspired fragrance employs methyl butyrate as the core pineapple note, creating a candied fruit effect that lasts longer than natural pineapple extracts.

Layer 2

2D Molecular Structure

Methyl butyrate

SMILES: CCCC(=O)OC

Chemistry, Properties & Perfumer Guide

The Chemistry

Methyl butyrate is an ester formed from methanol and butyric acid. Industrially produced through acid-catalyzed esterification, this simple molecule delivers disproportionate olfactory impact due to its low odor threshold. While not found abundantly in nature, trace amounts occur in pineapple, apple, and strawberry. The ester’s compact structure (C5H10O2) gives it excellent volatility and diffusion properties, making it ideal for top notes in fruity compositions.

Physical & Chemical Properties

Boiling Point102-103 °C
Density0.898 g/cm³
Flash Point13 °C
Refractive Index1.387

Perfumer Guide

Note Position
Top
Volatility
Very High (10-30 min)
Blending
Good with other esters
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Powerful fruity top note
Body Care0.1-0.5%Up to 1%Adds tropical character

Classic Accords

+ Ethyl Maltol + Vanillin = Candy Floss + Aldehyde C-18 + Gamma-Decalactone = Tropical Fruit

Tip: Use in traces with green notes to prevent overly candied effects – a drop of stemone can ground the sweetness.

Alternatives & Comparisons

1
Ethyl Butyrate CAS 105-54-4

Similar profile with slightly more orange-like character and better stability in alkaline products.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No restrictions under IFRA standards.

GHS Classification

H225 Highly flammable liquid and vapor

RIFM Assessment

RIFM assessment confirms safe use at current industry levels.

Sustainability

As a petrochemical-derived material, methyl butyrate has higher carbon footprint than natural extracts. However, its high potency means minimal quantities are needed. Some producers are exploring bio-based routes using fermented butyric acid.

Explore Methyl butyrate

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References

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

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    Ingredient Data Sheet

    CAS 623-42-7

    Physical Properties

    Molecular Weight102.13 g/mol🔬 PubChem
    LogP (Octanol-Water)1.3🔬 PubChem
    Boiling Point102.2 °C🔬 EPA CompTox
    Vapor Pressure0.84 mmHg @ 25°C📊 OPERA
    Flash Point13.9 °C🔬 EPA CompTox
    Involatility Index0.0896💻 Calculated
    log Kp (skin permeability)-2.4💻 Calculated
    SMILESCCCC(=O)OC🔬 PubChem

    Volatility & Performance

    Fragrance NoteTop💻 Calculated
    Volatility ClassSlow💻 Calculated
    Persistence Score0.5 / 5💻 Calculated

    Odor & Flavor

    Primary Descriptorsapplebutteryetherealfruity• leffingwell
    Functional Groupsesterether💻 RDKit
    “Very diffusive and penetrating, sweet-ether-like, fruity odor. In extreme dilution reminiscent of Apple peel with a slightly fatty Peach-like undertone.”📖 Arctander
    Methyl butyrate has an apple-like odor and corresponding sweet taste that is not very powerful. Below 100 ppm, methyl butyrate may have a banana–pineapple flavor.📖 Fenaroli

    Flavor Notes (Arctander)

    “Sweet, but not very powerful taste in aqueous media. Apple-like or Banana-Pine-apple-like in dilutions below 100 ppm. It is, however, much more widely used in flavor compositions for imitation Apple, Banana, Pineapple, Melon, Peach, Rum and Arak, and in various fruit complexes.”📖 Arctander

    Sensory Thresholds

    Odor Detection Threshold0.0288 ppm (n=12)📖 van Gemert

    Regulatory Status

    FEMA NumberFEMA 2693⚖️ FEMA GRAS
    GRAS StatusGenerally Recognized as Safe⚖️ FEMA GRAS
    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: DTXSID5047083

    Physical Properties

    Molecular Weight 102.133 g/mol🔬 EPA CompTox
    Density 0.897 g/cm^3🔬 EPA CTX
    Boiling Point 102.464 °C🔬 EPA CTX
    Melting Point -79.518 °C🔬 EPA CTX
    Flash Point 13.577 °C🔬 EPA CTX
    Refractive Index 1.387 Dimensionless📊 OPERA
    Molar Volume 114.551 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 1.29 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 1.335 Log10 unitless📊 OPERA
    LogD (pH 7.4) 1.335 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 3.19 Log10 unitless📊 OPERA
    Water Solubility 0.157 mol/L🔬 EPA CTX
    Henry's Law Constant 0 atm-m3/mole🔬 EPA CTX

    Transport Properties

    Vapor Pressure 28.286 mmHg🔬 EPA CTX
    Viscosity 0.543 cP📊 OPERA
    Surface Tension 24.553 dyn/cm📊 OPERA
    Thermal Conductivity 138.631 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 2 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 26.988 cm^3/mol📊 OPERA
    Polarizability 10.699 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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