methyl 2-hydroxy-3-methyl pentanoate

Methyl 2-hydroxy-3-methyl pentanoate, also known by the trivial name methyl 2-hydroxy-3-methylpentanoate, is an organic ester with the molecular formula C₇H₁₄O₃. It appears as a liquid compound that contributes a fruity and estery aroma profile reminiscent of caramellic notes, making it relevant for flavor and fragrance research. This chemical is cataloged under PubChem with its properties and structure detailed for scientific reference. It occurs naturally in a variety of fruits such as apple mamey and snake fruit, as well as in herb oils like sweet marjoram. The compound is synthesized or extracted in small concentrations and used mainly in natural substance and extractive applications.

Methyl 2-hydroxy-3-methyl pentanoate is naturally present in diverse fruit species including apple mamey, baccaurea motleyana, lansium domesticum, and in plants like vupomatia laurina as well as the water lily lily amazon. It has been detected in sweet marjoram herb oils, particularly from Turkish sources, at concentrations between 0.01 and 0.03%. Its biological occurrence points to a role in natural aroma compositions of these plants. Industrially, this compound is utilized in natural substances and extractives sectors but is not currently recommended for fragrance or flavor use according to IFRA (Global) standards. The compound’s delicate fruity and estery scent profile makes it valuable for research and potential application in aroma chemistry within regulated limits.

This compound exhibits a boiling range between 181 and 182°C at atmospheric pressure, indicating moderate volatility suitable for controlled evaporation in formulations. Its flash point is approximately 65.5°C (150°F), which suggests moderate flammability under certain conditions. Methyl 2-hydroxy-3-methyl pentanoate has an estimated logP of about 0.69, indicating moderate lipophilicity and some compatibility with both hydrophilic and lipophilic environments. It demonstrates solubility in alcohol and has measurable water solubility near 61 mg/L at 25°C, which affects its distribution in aqueous systems. Vapor pressure at 25°C is low, around 0.247 mmHg, minimizing rapid evaporation during storage or use. These properties influence its handling, formulation potential, and stability in natural ingredient applications.

	methyl 2-hydroxy-3-methylpentanoate
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	521064
Pubchem (sid):	10522236
Pherobase:	View

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
natural substances and extractives
Recommendation for methyl 2-hydroxy-3-methyl pentanoate usage levels up to:
	not for fragrance use.
Recommendation for methyl 2-hydroxy-3-methyl pentanoate flavor usage levels up to:
	not for flavor use.

Safety references

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :521064

National Institute of Allergy and Infectious Diseases:Data

methyl 2-hydroxy-3-methylpentanoate