3-methylbut-2-enal

C5H8O

CAS107-86-8

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Identification

CAS Number
107-86-8
EC Number
203-527-6
UN Number
2920
PubChem CID
61020

Physical-chemical properties

Molecular Formula
C5H8O
Molar Mass
84.12 g/mol
IUPAC Name
3-methylbut-2-enal

Chemical Identifiers

InChI
InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChI Key
SEPQTYODOKLVSB-UHFFFAOYSA-N

Overview

3-methylbut-2-enal (CAS 107-86-8) is an α,β-unsaturated aldehyde with a characteristic fruity aroma and reactive carbonyl functionality. This five-carbon aldehyde, also known by its IUPAC name 3-methylbut-2-enal, represents an important member of the branched aliphatic aldehyde family. With the molecular formula C5H8O and a molecular weight of 84.12 g/mol, this compound features both a methyl branch at the third carbon position and a double bond between carbons two and three, creating its distinctive α,β-unsaturated structure. The presence of the conjugated system between the carbonyl group and the alkene makes this aldehyde particularly reactive in various chemical transformations. The compound exhibits typical aldehyde reactivity patterns, including nucleophilic addition reactions and oxidation processes. Its conjugated double bond system allows for Michael addition reactions and other specialized organic transformations. While classified under ADR class 8, indicating corrosive properties during transport, 3-methylbut-2-enal requires standard handling precautions typical for reactive aldehydes. Unlike more hazardous compounds such as trichlorostibane or highly reactive acyl chlorides like 4-methoxybenzoyl chloride, this aldehyde presents manageable safety considerations when proper protocols are followed. In industrial applications, 3-methylbut-2-enal serves primarily as a flavoring agent in food and beverage industries due to its pleasant fruity characteristics. It also functions as an important synthetic intermediate in pharmaceutical and fine chemical manufacturing, where its reactive aldehyde group and branched structure provide valuable building blocks for complex molecule synthesis. Additionally, the compound finds use in fragrance formulations where its distinctive aromatic profile contributes to complex scent compositions. OYSI maintains reliable European supply chains for 3-methylbut-2-enal, ensuring consistent availability for technical and industrial applications across our distribution network.

Safety & Classification

No Hazard Classification

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

Transport (ADR)

UN Number2920
ADR Class8
Packing GroupII
Tunnel CodeD/E
Proper Shipping Name3-Methylbut-2-enal
Marine PollutantNo

Frequently Asked Questions

What is 3-methylbut-2-enal?

3-methylbut-2-enal is an organic aldehyde compound with the molecular formula C5H8O and CAS number 107-86-8. This unsaturated aldehyde features a branched carbon chain with a methyl group at the third position and an aldehyde functional group. With a molecular weight of 84.12 g/mol, it belongs to the class of α,β-unsaturated aldehydes and is characterized by its reactive carbonyl group and double bond conjugation.

What are the physicochemical properties of 3-methylbut-2-enal?

3-methylbut-2-enal is a colorless to pale yellow liquid at room temperature with a characteristic pungent, fruity odor. The compound has moderate volatility due to its relatively low molecular weight and contains both polar (carbonyl) and nonpolar (hydrocarbon) regions. It shows limited solubility in water but is miscible with most organic solvents including alcohols, ethers, and hydrocarbons due to its organic nature.

What is 3-methylbut-2-enal used for?

3-methylbut-2-enal serves primarily as an intermediate in organic synthesis and chemical manufacturing processes. Its reactive aldehyde group and conjugated double bond make it valuable for producing various chemical derivatives through condensation, addition, and polymerization reactions. The compound finds applications in pharmaceutical synthesis, fine chemical production, and as a building block for more complex organic molecules in specialized industrial processes.

How to handle 3-methylbut-2-enal safely?

Safe handling of 3-methylbut-2-enal requires standard chemical laboratory precautions including wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and lab coats. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation of vapors. Avoid contact with skin, eyes, and clothing, and ensure proper grounding when transferring the material to prevent static discharge.

How to store 3-methylbut-2-enal correctly?

3-methylbut-2-enal should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, ignition sources, and direct sunlight. Keep containers in secondary containment and away from incompatible materials such as strong oxidizers, acids, and bases. Storage areas should be equipped with appropriate spill control measures and maintained at stable temperatures to prevent degradation of the product.

What to do in case of contact with 3-methylbut-2-enal?

In case of skin contact with 3-methylbut-2-enal, 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 15-20 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.

How to dispose of 3-methylbut-2-enal appropriately?

3-methylbut-2-enal must be disposed of in accordance with local, national, and international waste regulations as a chemical waste. The material should not be discharged into drains, waterways, or the environment. Arrange disposal through licensed waste management companies specialized in chemical waste treatment. Small quantities may be suitable for incineration at appropriate facilities, while larger amounts require specialized chemical waste processing.

How to transport 3-methylbut-2-enal?

3-methylbut-2-enal is classified under ADR Class 8 (corrosive substances), Packing Group II, requiring specific packaging and labeling for transport. Containers must meet UN specification standards and display appropriate hazard labels and markings. Transportation should comply with ADR/RID regulations for road and rail transport, with proper documentation including safety data sheets and transport emergency cards accompanying shipments.

Is 3-methylbut-2-enal subject to specific regulations?

3-methylbut-2-enal is subject to standard chemical regulations including REACH registration requirements for manufacture, import, and use within the European Union. The substance is not classified as a Substance of Very High Concern (SVHC) and currently has no specific use restrictions under REACH Annex XVII. Handlers must comply with CLP regulation for classification, labeling, and packaging, along with standard occupational safety requirements.

Where to buy 3-methylbut-2-enal in Europe?

3-methylbut-2-enal is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides quality chemical products with proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI directly for availability, specifications, packaging options, and delivery to your location within Europe for both small laboratory quantities and larger industrial requirements.

Data Sources

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