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 odor and reactive carbonyl functionality. This five-carbon aldehyde compound, with molecular formula C5H8O and molecular weight 84.12 g/mol, belongs to the family of unsaturated aldehydes that play significant roles in both industrial chemistry and natural processes. The presence of both a double bond and an aldehyde group in its structure makes 3-methylbut-2-enal a versatile intermediate in organic synthesis, offering multiple reaction pathways for chemical transformations. The compound exhibits typical aldehyde reactivity, readily participating in condensation reactions, nucleophilic additions, and oxidation processes. Its unsaturated nature allows for additional reactions at the double bond, making it valuable for creating more complex molecular structures. Unlike more hazardous compounds such as trichlorostibane, 3-methylbut-2-enal presents relatively manageable safety considerations, though standard laboratory precautions should always be observed when handling organic aldehydes. In industrial applications, 3-methylbut-2-enal serves as an important building block in fine chemical synthesis, particularly in the production of pharmaceuticals and agrochemicals where its branched structure contributes to desired molecular architectures. The compound also finds use in flavor and fragrance formulations, where its fruity characteristics add complexity to commercial products. Additionally, it functions as an intermediate in polymer chemistry, where its dual functionality enables incorporation into specialized polymer backbones. The classification under ADR Class 8 indicates certain transport considerations that must be addressed in logistics and handling procedures. OYSI maintains reliable supply chains for 3-methylbut-2-enal to support diverse industrial applications across European markets.

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 methyl branch on the carbon chain and a double bond adjacent to the carbonyl group. With a molecular weight of 84.12 g/mol, it belongs to the family of α,β-unsaturated aldehydes and exhibits typical aldehyde reactivity patterns in organic synthesis applications.

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

3-methylbut-2-enal is a liquid organic compound with a molecular weight of 84.12 g/mol and formula C5H8O. As an α,β-unsaturated aldehyde, it typically exhibits a characteristic pungent odor and is sensitive to oxidation and polymerization. The compound contains both a carbonyl group and a double bond, making it reactive towards nucleophiles and participating in conjugate addition reactions.

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

3-methylbut-2-enal serves as an important intermediate in organic synthesis and chemical manufacturing. The compound is utilized in the production of pharmaceuticals, agrochemicals, and specialty chemicals due to its reactive aldehyde functionality. Its α,β-unsaturated structure makes it valuable for various chemical transformations including nucleophilic additions, condensation reactions, and as a building block for more complex molecular structures in industrial applications.

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

3-methylbut-2-enal should be handled with standard chemical safety precautions including appropriate personal protective equipment. Wear chemical-resistant gloves, safety goggles, and work in well-ventilated areas or under fume hoods. Avoid direct contact with skin and eyes, and prevent inhalation of vapors. Use proper laboratory techniques when transferring or measuring the compound, and ensure all containers are properly labeled and sealed after use.

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

3-methylbut-2-enal should be stored in tightly sealed containers in a cool, dry place away from heat sources and direct sunlight. Keep the compound away from strong oxidizing agents, bases, and nucleophiles that could react with the aldehyde group. Store in appropriate chemical storage areas with adequate ventilation and temperature control to prevent decomposition or unwanted reactions. Ensure containers are properly labeled with hazard information.

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

In case of skin contact with 3-methylbut-2-enal, immediately wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean 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 specific first aid measures.

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

3-methylbut-2-enal must be disposed of according to local and national waste regulations as a chemical waste. Do not pour down drains or dispose of in regular trash. Contact licensed waste disposal companies that handle organic chemical waste. Small quantities may be neutralized or treated according to established laboratory waste procedures. Always consult local environmental authorities and follow proper waste classification guidelines for organic aldehydes.

How to transport 3-methylbut-2-enal?

3-methylbut-2-enal is classified under ADR as Class 8 (corrosive substances), Packing Group II, requiring appropriate dangerous goods packaging and documentation. Transportation must comply with ADR regulations for corrosive materials, including proper labeling, packaging specifications, and transport documentation. Use UN-approved containers and ensure proper segregation from incompatible materials during transport. Professional dangerous goods handling and trained personnel are required for shipment.

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

3-methylbut-2-enal is subject to standard chemical regulations including REACH registration requirements in Europe for commercial use. The compound is not classified as a Substance of Very High Concern (SVHC) and does not currently have specific GHS hazard classifications. However, it must comply with general chemical safety regulations, proper labeling requirements, and workplace safety standards. Users should maintain safety data sheets and follow good chemical hygiene practices.

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

3-methylbut-2-enal is available through OYSI, a specialized European distributor of technical chemicals and laboratory reagents. OYSI provides quality chemical products to industrial customers, research institutions, and chemical companies across Europe. As a professional chemical supplier, OYSI ensures proper packaging, documentation, and regulatory compliance for chemical distribution. Contact OYSI directly for availability, specifications, and delivery options for 3-methylbut-2-enal in your region.

Data Sources

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