But-1-yne

C4H6

but-1-yne

CAS107-00-6

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Identification

CAS Number
107-00-6
EC Number
203-451-3
UN Number
2452
PubChem CID
7846

Physical-chemical properties

Molecular Formula
C4H6
Molar Mass
54.09 g/mol
IUPAC Name
but-1-yne

Chemical Identifiers

InChI
InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3
InChI Key
KDKYADYSIPSCCQ-UHFFFAOYSA-N

Overview

But-1-yne (CAS 107-00-6) is a terminal alkyne hydrocarbon with a triple bond at the first carbon position, exhibiting high reactivity in organic synthesis applications. This linear four-carbon acetylenic compound represents one of the simplest terminal alkynes in organic chemistry, characterized by its molecular formula C4H6 and molecular weight of 54.09 g/mol. The presence of the terminal triple bond makes but-1-yne particularly valuable as a building block in synthetic organic chemistry, where it can undergo various addition reactions, coupling reactions, and functional group transformations. Unlike saturated hydrocarbons or simple gases such as nitrous oxide, but-1-yne's unsaturated structure provides multiple reactive sites for chemical modification. As a gaseous compound under standard conditions, but-1-yne requires proper handling protocols due to its classification under ADR Class 2 for compressed gases. While it does not carry specific GHS pictogrammes or hazard classifications, standard safety measures for handling flammable gases and reactive organic compounds should be observed. The terminal alkyne functionality makes it more reactive than internal alkynes, requiring careful storage and handling to prevent unwanted polymerization or decomposition reactions. In industrial applications, but-1-yne serves as an important intermediate in pharmaceutical synthesis, where its triple bond can be selectively modified to create complex molecular frameworks. It also finds use in specialty polymer production and as a precursor for various fine chemicals. The compound's reactivity profile makes it particularly suitable for click chemistry applications and metal-catalyzed coupling reactions in research and development environments. OYSI provides but-1-yne to support various industrial and research applications across Europe, ensuring reliable supply chain management for this specialized chemical building block.

Safety & Classification

No Hazard Classification

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

Transport (ADR)

UN Number2452
ADR Class2
Packing Group
Tunnel CodeB/D
Proper Shipping NameEthylacetylen, stabilisiert, unter Druck verflüssigt
Marine PollutantNo

Frequently Asked Questions

What is but-1-yne?

But-1-yne is a terminal alkyne hydrocarbon with the molecular formula C4H6 and CAS number 107-00-6. It consists of a four-carbon chain with a triple bond between the first and second carbon atoms. This organic compound has a molecular weight of 54.09 g/mol and belongs to the acetylene family. But-1-yne is characterized by its high reactivity due to the presence of the terminal alkyne functional group, making it valuable in organic synthesis reactions.

What are the physicochemical properties of but-1-yne?

But-1-yne is a colorless gas at room temperature with a characteristic acetylene-like odor. It has a boiling point of approximately 8.1°C and is slightly soluble in water but readily soluble in organic solvents such as ethanol and ether. The compound is highly flammable and lighter than air with a density of about 0.678 g/cm³ at 20°C. Its triple bond makes it highly reactive, particularly in addition reactions and polymerization processes.

What is but-1-yne used for?

But-1-yne serves as an important intermediate in organic synthesis and chemical manufacturing. It is primarily used in the production of specialty chemicals, pharmaceuticals, and polymer precursors. The compound finds applications in alkylation reactions, as a building block for more complex organic molecules, and in the synthesis of various industrial chemicals. Its terminal alkyne functionality makes it particularly valuable for coupling reactions and the formation of carbon-carbon bonds in synthetic chemistry processes.

How to handle but-1-yne safely?

But-1-yne requires careful handling due to its flammable nature and gaseous state. Personnel should wear appropriate personal protective equipment including safety glasses, chemical-resistant gloves, and work in well-ventilated areas or under fume hoods. Avoid sources of ignition, heat, and sparks. Use proper gas handling equipment and ensure all connections are secure. Ground all equipment to prevent static discharge. Never work alone when handling this compound and ensure emergency procedures are readily accessible.

How to store but-1-yne correctly?

But-1-yne should be stored in appropriate gas cylinders or pressure vessels designed for acetylene-type compounds. Keep containers in cool, dry, well-ventilated areas away from heat sources, ignition sources, and incompatible materials. Store separately from strong oxidizing agents and halogens. Ensure storage areas have appropriate fire suppression systems and gas detection equipment. Cylinders should be secured upright and protected from physical damage. Regular inspection of storage equipment is essential for safety.

What to do in case of contact with but-1-yne?

But-1-yne exposure primarily occurs through inhalation since it is a gas at room temperature. If inhaled, immediately move the affected person to fresh air and seek medical attention if breathing difficulties occur. For skin contact with liquid form, rinse thoroughly with water. In case of eye contact, flush immediately with water for at least 15 minutes. If ingestion occurs (unlikely due to physical state), seek immediate medical attention. Always contact emergency services for serious exposures and have safety data sheets readily available.

How to dispose of but-1-yne properly?

But-1-yne disposal must comply with local and national environmental regulations. Small quantities can be carefully vented in well-ventilated areas away from ignition sources, following proper safety protocols. Larger quantities should be disposed of through licensed chemical waste disposal companies. Never release significant amounts into the atmosphere or sewer systems. Empty cylinders should be returned to suppliers when possible. Consult local environmental authorities for specific disposal requirements and maintain proper documentation of waste disposal activities.

How to transport but-1-yne?

But-1-yne is classified under ADR Class 2 as a flammable gas for transportation purposes. It must be transported in approved pressure vessels or gas cylinders that meet international transportation standards. Vehicles must be properly placarded and equipped with appropriate safety equipment. Drivers require hazardous materials transportation certification. Avoid transportation during extreme weather conditions and ensure proper documentation accompanies all shipments. Follow specific packaging instructions and quantity limitations as specified in transportation regulations.

Is but-1-yne subject to specific regulations?

But-1-yne is subject to various 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) under REACH regulations. The compound must comply with CLP regulation requirements for classification, labeling, and packaging. Industrial users should maintain safety data sheets and implement appropriate risk management measures. Always verify current regulatory status as requirements may change over time.

Where to buy but-1-yne in Europe?

But-1-yne is available through OYSI, a professional European distributor of specialty chemicals serving industrial customers across Europe. OYSI provides high-quality but-1-yne with proper documentation, safety data sheets, and regulatory compliance support. As an established chemical distributor, OYSI ensures reliable supply chains and technical support for industrial applications. Contact OYSI directly for specific product availability, packaging options, and delivery arrangements to your European location.

Data Sources

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