Introduction
Methyl Pentanoate, also known as Methyl Valerate (CAS 624-24-8), is a high-purity, clear liquid ester essential for crafting sophisticated flavor and fragrance profiles. Its defining characteristic is a strong, fresh, and distinctly fruity aroma with clear apple-like notes, making it a fundamental building block in the flavor and fragrance (F&F) industry for creating natural, appealing sensory experiences.
This versatile compound is naturally occurring, identified as a key volatile component in fruits such as kiwi, pineapple, passion fruit, and black currants, as well as in coffee. Its presence in nature underscores its role as a "nature-identical" flavoring agent, perfectly suited for developing authentic, fruity profiles that meet clean-label trends and consumer demand for natural ingredients in food, beverages, and fine fragrances.
Biochemical & Physical Parameters
| Parameter | Value / Description | Notes / Source |
|---|---|---|
| Boiling Point | 128 °C | At atmospheric pressure. |
| Melting Point | -91 °C | |
| Density | 0.875 g/mL at 25 °C | |
| Refractive Index (n20/D) | 1.397 | |
| Flash Point | 22 °C (72 °F) | Classified as a flammable liquid. |
| Water Solubility | Slightly soluble. 2196 mg/L at 25°C (estimated). Miscible with ethanol and ether. | |
| Log KOW | 1.85 | Octanol-water partition coefficient. |
| Vapor Pressure | 11.2 mm Hg at 25 °C | |
| Storage Conditions | Store in a tightly sealed container in a cool, dry, well-ventilated area away from heat and open flame. Keep away from oxidizers. | Flammable liquid storage requirements apply. |
Structure and Specification
- Molecular Formula: C₆H₁₂O₂
- Structural Formula: CH₃(CH₂)₃COOCH₃
- Simplified Condensed Formula: CH₃CH₂CH₂CH₂C(O)OCH₃
- Functional Group: Ester (-COO-)
- IUPAC Name: Methyl pentanoate
- Note on Isomers: This product is the straight-chain isomer (n-pentanoate). It is distinct from branched-chain isomers like methyl 2-methylpentanoate (CAS varies, FEMA 3707) or various methylated valeric acids.
Mechanism of Action (as a Flavor & Fragrance Ingredient)
As a flavor and fragrance ingredient, Methyl Pentanoate functions primarily through olfactory perception.
- Volatility & Detection: Its molecular structure provides sufficient volatility at room temperature, allowing it to become airborne and reach the olfactory epithelium in the nose.
- Receptor Interaction: The ester molecule binds to specific olfactory receptors.
- Signal Transmission: This binding triggers a neural signal that is processed by the brain as a specific smell, recognized as fruity, apple-like, and sometimes winey or fermented.
- Flavor Enhancement: When used in food, this olfactory sensation combines with taste, contributing to the overall "flavor" profile, enhancing the perception of fruitiness.
Key Benefits and Advantages
Primary Applications
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FAQ: Frequently Asked Questions
Q: What does Methyl Pentanoate (Methyl Valerate) smell like?
A: It has a characteristic fruity odor, often described as apple-like, with sweet and winey undertones.
Q: Is Methyl Pentanoate the same as Methyl Valerate?
A: Yes, there are two names for the same chemical compound (CAS 624-24-8). "Pentanoate" is the IUPAC-preferred name based on pentanoic acid, while "valerate" is the common name derived from valeric acid.
Q: Is this product safe for use in food and cosmetics?
A: When used in accordance with Good Manufacturing Practices (GMP) and within established usage levels, it is considered safe. It has a history of use as a flavoring agent, and a recent safety assessment supports its use as a fragrance ingredient. Always comply with local regulations (e.g., FEMA, FDA, EU Flavouring Regulation).
Q: How should Methyl Pentanoate be stored and handled?
A: It is a flammable liquid with a flash point of approximately 22°C (72°F). It must be stored in a cool, well-ventilated place away from ignition sources and oxidizers. Use appropriate personal protective equipment (PPE) such as gloves and safety glasses. Refer to the Safety Data Sheet (SDS) for complete handling instructions.
Q: What is the difference between Methyl Pentanoate and Ethyl Pentanoate (Ethyl Valerate)?
A: The main difference is the alcohol part of the ester. Methyl Pentanoate has a methyl group (-CH₃), while Ethyl Pentanoate has an ethyl group (-CH₂CH₃). This small structural change affects their volatility, odor profile (ethyl ester is often fruitier), and boiling point.
Q: Is Methyl Pentanoate natural?
A: Yes. Methyl Pentanoate is a molecule that occurs naturally in fruits. The commercially available product is synthetically produced but is chemically identical to the natural molecule. Therefore, it is classified and regulated worldwide as a "nature-identical" flavoring substance.
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