3-methylpentanoic acid

C6H12O2

CAS105-43-1

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Identification

CAS Number
105-43-1
EC Number
203-297-7
UN Number
3265
PubChem CID
7755

Physical-chemical properties

Molecular Formula
C6H12O2
Molar Mass
116.16 g/mol
IUPAC Name
3-methylpentanoic acid

Chemical Identifiers

InChI
InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChI Key
IGIDLTISMCAULB-UHFFFAOYSA-N

Overview

3-methylpentanoic acid (CAS 105-43-1) is a branched-chain carboxylic acid with distinctive chemical reactivity and moderate polarity characteristics. This organic compound represents a significant member of the methylated pentanoic acid family, featuring a carboxyl functional group attached to a five-carbon chain with a methyl substituent at the third position. With its molecular formula C6H12O2 and molecular weight of 116.16 g/mol, 3-methylpentanoic acid exhibits typical carboxylic acid properties while offering unique steric and electronic characteristics due to its branched structure. The compound's chemical behavior is governed by its carboxylic acid functionality, enabling participation in standard organic transformations including esterification, amidation, and salt formation reactions. Its branched architecture influences both its physical properties and reactivity patterns, distinguishing it from linear carboxylic acids. The substance shares certain chemical characteristics with other acid chloride derivatives used in organic synthesis, though unlike more reactive compounds such as 4-methoxybenzoyl chloride, it maintains greater stability under ambient conditions. Safety considerations for 3-methylpentanoic acid align with its ADR Class 8 classification, indicating corrosive properties that require appropriate handling protocols. Standard personal protective equipment and proper ventilation systems are essential when working with this material to prevent skin contact and inhalation exposure. Industrial applications of 3-methylpentanoic acid include its use as an intermediate in pharmaceutical synthesis, where its branched structure provides specific steric requirements for drug development. The compound also finds application in specialty chemical manufacturing and as a building block for producing esters with unique properties for various industrial formulations. OYSI provides 3-methylpentanoic acid to support diverse industrial applications across European markets, ensuring reliable supply for specialized chemical synthesis requirements.

Safety & Classification

No Hazard Classification

This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.

Transport (ADR)

UN Number3265
ADR Class8
Packing GroupIII
Tunnel CodeE
Proper Shipping Name3-Methylvaleriansäure
Marine PollutantNo

Frequently Asked Questions

What is 3-methylpentanoic acid?

3-methylpentanoic acid is a branched-chain carboxylic acid with the molecular formula C6H12O2 and CAS number 105-43-1. This organic compound has a molecular weight of 116.16 g/mol and features a pentanoic acid backbone with a methyl substitution at the third carbon position. It belongs to the family of aliphatic carboxylic acids and exhibits typical acid properties including the ability to form salts and esters.

What are the physicochemical properties of 3-methylpentanoic acid?

3-methylpentanoic acid is typically a colorless to pale yellow liquid at room temperature with a characteristic pungent, rancid odor typical of carboxylic acids. The compound has moderate water solubility due to its carboxylic acid group, while being more soluble in organic solvents like ethanol and ether. Its branched structure affects its boiling point and viscosity compared to straight-chain pentanoic acid derivatives.

What is 3-methylpentanoic acid used for?

3-methylpentanoic acid is primarily used as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. It serves as a building block for the production of esters, amides, and other derivatives used in flavor and fragrance industries. The compound is also utilized in research applications and as a precursor for specialty chemicals, particularly in the development of bioactive compounds and pharmaceutical intermediates.

How to handle 3-methylpentanoic acid safely?

3-methylpentanoic acid should be handled with standard laboratory safety practices including wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation of vapors. Avoid direct skin and eye contact, and ensure proper training on handling procedures. Keep containers tightly closed when not in use and away from incompatible materials.

How to store 3-methylpentanoic acid correctly?

3-methylpentanoic acid should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed to prevent contamination and vapor release. Store away from strong bases, oxidizing agents, and reactive metals that could react with the carboxylic acid. Use appropriate secondary containment and ensure storage areas comply with local chemical storage regulations and fire safety requirements.

What to do in case of contact with 3-methylpentanoic acid?

In case of skin contact with 3-methylpentanoic acid, immediately remove contaminated clothing and flush the affected area with plenty of water for at least 15 minutes. For eye contact, rinse immediately with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult safety data sheets for complete first aid procedures.

How to dispose of 3-methylpentanoic acid properly?

3-methylpentanoic acid waste must be disposed of according to local, national, and international waste regulations. The compound should be collected in appropriate waste containers and handed over to licensed waste disposal companies. Do not discharge into drains, water bodies, or soil. Neutralization may be possible under controlled conditions by qualified personnel, but professional waste management services are recommended to ensure regulatory compliance and environmental protection.

How to transport 3-methylpentanoic acid?

3-methylpentanoic acid is classified as ADR Class 8 (corrosive substances), Packing Group III for transportation purposes. It must be packaged in UN-approved containers with appropriate labeling and documentation. Transport vehicles must comply with ADR regulations for corrosive materials, including proper placarding and driver certification. Ensure proper segregation from incompatible materials during transport and follow all applicable shipping regulations for hazardous materials.

Is 3-methylpentanoic acid subject to specific regulations?

3-methylpentanoic acid is subject to standard chemical regulations including REACH registration requirements in Europe for quantities above specified thresholds. It is not classified as a Substance of Very High Concern (SVHC) and currently has no specific GHS classification requirements. However, it must comply with general chemical safety regulations, workplace exposure limits, and transportation regulations as a Class 8 corrosive substance under ADR.

Where to buy 3-methylpentanoic acid in Europe?

3-methylpentanoic acid is available through OYSI, a specialized European distributor of technical chemicals serving various industries across Europe. OYSI provides reliable sourcing and distribution of chemical products with proper documentation and regulatory compliance. For pricing, availability, and technical specifications, contact OYSI directly to discuss your specific requirements and ensure the product meets your application needs and quality standards.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.