2-methylpropyl propanoate

C7H14O2

CAS540-42-1
GHS02 Gefahrensymbol: Entzündbar – Flamme
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Identification

CAS Number
540-42-1
EC Number
208-746-0
UN Number
2394
Index Number
607-029-00-3
PubChem CID
10895

Physical-chemical properties

Molecular Formula
C7H14O2
Molar Mass
130.18 g/mol
IUPAC Name
2-methylpropyl propanoate

Chemical Identifiers

InChI
InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
InChI Key
FZXRXKLUIMKDEL-UHFFFAOYSA-N

Overview

2-methylpropyl propanoate (CAS 540-42-1) is an organic ester compound characterized by its flammable properties and fruity aromatic profile. This chemical substance, also known by its IUPAC designation 2-methylpropyl propanoate, represents a branched-chain ester formed through the condensation reaction between 2-methylpropanol (isobutanol) and propanoic acid. With a molecular formula of C7H14O2 and molecular weight of 130.18 g/mol, this colorless liquid exhibits the typical properties of aliphatic esters, including moderate volatility and distinctive organoleptic characteristics. The compound belongs to the same chemical family as other industrially relevant esters such as 1-methoxypropan-2-yl acetate and butyl butanoate, sharing similar structural features and application profiles. Its physical properties make it particularly suitable for applications requiring controlled evaporation rates and pleasant olfactory characteristics. From a safety perspective, 2-methylpropyl propanoate is classified as a Category 3 flammable liquid under GHS regulations, requiring appropriate handling precautions including proper ventilation, ignition source control, and adherence to ADR Class 3 transportation requirements. The compound carries the GHS02 flame pictogram and "Warning" signal word, indicating moderate but manageable hazard levels when proper industrial safety protocols are followed. Primary industrial applications include its use as a solvent in coating formulations, where its controlled evaporation rate and low toxicity profile provide advantages over more hazardous alternatives. The compound also finds application in the fragrance and flavor industry due to its fruity ester character, and as an intermediate in specialty chemical synthesis processes. OYSI maintains reliable supply chains for 2-methylpropyl propanoate, ensuring consistent availability for European industrial customers requiring this specialized ester compound.

Safety & Classification

Warning
Classification:

Flam. Liq. 3

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Transport (ADR)

UN Number2394
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping NameIsobutylpropionat
Marine PollutantNo

Frequently Asked Questions

What is 2-methylpropyl propanoate?

2-methylpropyl propanoate is an organic ester compound with the molecular formula C7H14O2 and CAS number 540-42-1. It has a molecular weight of 130.18 g/mol and belongs to the class of propanoate esters. This chemical is formed by the esterification reaction between propanoic acid and 2-methylpropanol (isobutanol). It appears as a colorless liquid with a fruity, sweet odor characteristic of many esters, making it valuable in various industrial applications.

What are the physicochemical properties of 2-methylpropyl propanoate?

2-methylpropyl propanoate is a colorless liquid at room temperature with a pleasant, fruity odor typical of ester compounds. It has low solubility in water due to its hydrophobic nature but is miscible with most organic solvents including alcohols, ethers, and hydrocarbons. The compound exhibits typical ester properties such as susceptibility to hydrolysis under acidic or basic conditions. Its relatively low molecular weight contributes to its volatile nature and flammable characteristics.

What is 2-methylpropyl propanoate used for?

2-methylpropyl propanoate is primarily used as a solvent in industrial applications, particularly in coatings, paints, and varnishes due to its excellent solvency properties and pleasant odor. It serves as a flavoring agent in food industry applications and as a fragrance component in cosmetic formulations. The compound is also utilized in the production of other chemicals through esterification and transesterification reactions, and as a cleaning agent in specialized industrial processes.

How to handle 2-methylpropyl propanoate safely?

2-methylpropyl propanoate must be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems to prevent vapor inhalation. Avoid contact with skin, eyes, and clothing. Keep away from ignition sources, heat, and sparks as it is classified as Flammable Liquid Category 3. Use non-sparking tools and ensure proper grounding of equipment during transfer operations to prevent static electricity buildup.

How to store 2-methylpropyl propanoate correctly?

2-methylpropyl propanoate should be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames. Use tightly sealed containers made of compatible materials such as stainless steel or appropriate plastics. Store away from strong oxidizing agents, acids, and bases to prevent incompatible reactions. Maintain storage temperatures below 25°C when possible and ensure adequate fire suppression systems are in place. Containers should be properly labeled and stored in designated flammable liquid storage areas.

What to do in case of contact with 2-methylpropyl propanoate?

In case of skin contact with 2-methylpropyl propanoate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult safety data sheets for complete emergency procedures.

How to dispose of 2-methylpropyl propanoate properly?

2-methylpropyl propanoate waste must be disposed of in accordance with local, national, and European waste regulations. It should be collected in appropriate containers and sent to licensed waste treatment facilities for proper disposal, typically through incineration at authorized facilities. Do not discharge into sewers, waterways, or soil. Small quantities may be suitable for solvent recovery processes. Always consult with certified waste management companies and follow applicable WEEE and hazardous waste directives for proper disposal procedures.

How to transport 2-methylpropyl propanoate?

2-methylpropyl propanoate is classified under ADR as Class 3 (Flammable Liquids), Packing Group III, requiring compliance with dangerous goods transportation regulations. It must be packaged in UN-approved containers with proper labeling including GHS02 flame pictogram and 'Warning' signal word. Vehicles must carry appropriate fire extinguishing equipment and emergency response information. Drivers require ADR certification for transporting flammable liquids, and transport documents must include proper shipping names and hazard classifications.

Is 2-methylpropyl propanoate subject to specific regulations?

2-methylpropyl propanoate is subject to European REACH regulation requiring registration for manufacture or import above one tonne per year. It falls under CLP regulation for classification, labeling, and packaging as Flammable Liquid Category 3. The substance is not identified as SVHC (Substance of Very High Concern) under REACH. Workplace exposure limits may apply under occupational health regulations. Users must comply with local environmental discharge limits and industrial emissions directives when using this chemical in manufacturing processes.

Where to buy 2-methylpropyl propanoate in Europe?

2-methylpropyl propanoate is available through OYSI, a specialized European distributor of technical chemicals serving industrial customers across Europe. OYSI provides this compound with full regulatory compliance including safety data sheets, certificates of analysis, and proper ADR transport documentation. As a professional chemical distributor, OYSI ensures product quality and regulatory compliance for industrial applications. Contact OYSI directly for availability, technical specifications, and delivery options to your specific European location.

Data Sources

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