3-methylpent-2-en-4-yn-1-ol
C6H8O
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Identification
- CAS Number
- 105-29-3
- EC Number
- 203-284-6
- UN Number
- 2705
- PubChem CID
- 61013
Physical-chemical properties
- Molecular Formula
- C6H8O
- Molar Mass
- 96.13 g/mol
- IUPAC Name
- 3-methylpent-2-en-4-yn-1-ol
Chemical Identifiers
- InChI
- InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3
- InChI Key
- ZSJHASYJQIRSLE-UHFFFAOYSA-N
Overview
3-methylpent-2-en-4-yn-1-ol (CAS 105-29-3) is an unsaturated alcohol compound featuring both alkene and alkyne functional groups with a terminal hydroxyl group. This specialty chemical compound, with the molecular formula C6H8O and molecular weight of 96.13 g/mol, represents a unique class of bifunctional organic molecules containing conjugated double and triple bonds. The presence of both alkene and alkyne functionalities, combined with the primary alcohol group, makes this compound particularly valuable in synthetic organic chemistry applications. Its structure incorporates a methyl substituent at the third carbon position, contributing to its distinctive reactivity profile and potential for selective chemical transformations. The compound exhibits typical properties associated with unsaturated alcohols, including moderate polarity due to the hydroxyl group and enhanced reactivity stemming from the conjugated π-electron system. The terminal alcohol functionality provides opportunities for further derivatization through standard alcohol chemistry, while the alkene and alkyne groups offer multiple sites for addition reactions, cycloadditions, and other synthetic transformations. Unlike simpler aromatic compounds such as those derived from 4-methoxybenzoyl chloride, this aliphatic system offers unique stereochemical considerations and reaction pathways. Primary industrial applications include use as a synthetic intermediate in pharmaceutical manufacturing, specialty polymer production, and fine chemical synthesis. The compound serves as a valuable building block in the preparation of complex organic molecules, particularly where multiple functional group manipulations are required. Its versatility makes it suitable for custom synthesis projects and research applications in materials science. OYSI maintains reliable supply chains for 3-methylpent-2-en-4-yn-1-ol to support diverse industrial and research requirements 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 Number | 2705 |
| ADR Class | 8 |
| Packing Group | II |
| Tunnel Code | E |
| Proper Shipping Name | 1-Pentole, cis/trans-Isomere oder Isomerengemisch |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3-methylpent-2-en-4-yn-1-ol?
3-methylpent-2-en-4-yn-1-ol is an organic compound with the molecular formula C6H8O and a molecular weight of 96.13 g/mol. This substance belongs to the family of unsaturated alcohols, containing both a double bond (alkene) and a triple bond (alkyne) within its carbon chain structure. The compound is identified by CAS number 105-29-3 and features a primary alcohol functional group, making it a versatile intermediate in organic synthesis and chemical manufacturing processes.
What are the physicochemical properties of 3-methylpent-2-en-4-yn-1-ol?
3-methylpent-2-en-4-yn-1-ol is a liquid at room temperature with characteristic properties typical of unsaturated alcohols. The compound contains reactive functional groups including an alcohol group, a double bond, and a triple bond, which influence its chemical behavior. Due to the presence of the hydroxyl group, it exhibits some water solubility and can participate in hydrogen bonding. The multiple unsaturated bonds make it susceptible to oxidation and polymerization reactions under certain conditions.
What is 3-methylpent-2-en-4-yn-1-ol used for?
3-methylpent-2-en-4-yn-1-ol serves as an important intermediate in organic synthesis and pharmaceutical manufacturing. The compound is utilized in the production of fine chemicals, fragrances, and specialty compounds due to its unique structural features. Its multiple functional groups make it valuable for creating complex molecular structures through various chemical transformations. The substance is also employed in research and development applications where precise molecular modifications are required for developing new chemical entities and materials.
How to safely handle 3-methylpent-2-en-4-yn-1-ol?
3-methylpent-2-en-4-yn-1-ol should be handled with standard laboratory safety precautions despite having no specific GHS classification. Always wear appropriate personal protective equipment including safety glasses, chemical-resistant gloves, and laboratory coats. Work in well-ventilated areas or under fume hoods to minimize exposure to vapors. Avoid contact with skin, eyes, and clothing. Keep away from heat sources, sparks, and open flames as organic compounds can be flammable. Follow good laboratory practices and maintain proper hygiene when working with this substance.
How to properly store 3-methylpent-2-en-4-yn-1-ol?
3-methylpent-2-en-4-yn-1-ol should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed and store in original packaging or compatible chemical-resistant containers. Due to the presence of multiple unsaturated bonds, protect from oxidizing agents and avoid exposure to air for extended periods. Store away from incompatible materials such as strong acids, bases, and oxidizing agents. Maintain storage temperature according to supplier recommendations and ensure proper labeling of containers.
What to do in case of contact with 3-methylpent-2-en-4-yn-1-ol?
3-methylpent-2-en-4-yn-1-ol exposure requires immediate attention following standard first aid procedures. For skin contact, immediately wash the affected area with plenty of soap and water for at least 15 minutes and remove contaminated clothing. In case of eye contact, flush thoroughly with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If swallowed, rinse mouth with water and seek medical advice. Do not induce vomiting unless directed by medical personnel. Always consult safety data sheets for specific guidance.
How to properly dispose of 3-methylpent-2-en-4-yn-1-ol?
3-methylpent-2-en-4-yn-1-ol must be disposed of in accordance with local, national, and international waste regulations. The substance should never be poured down drains or disposed of with regular waste. Contact licensed waste disposal companies that specialize in chemical waste management. Small quantities may be suitable for incineration at appropriate facilities, while larger amounts may require specific treatment methods. Always consult local environmental authorities and follow waste classification guidelines. Keep detailed records of disposal activities for regulatory compliance.
How to transport 3-methylpent-2-en-4-yn-1-ol?
3-methylpent-2-en-4-yn-1-ol is classified under ADR Class 8 (corrosive substances), Packing Group II, requiring specific transport regulations. The substance must be packaged in UN-approved containers suitable for Class 8 materials and properly labeled with appropriate hazard markings. Transport vehicles must comply with ADR requirements including proper documentation, emergency equipment, and driver training. Ensure packages are secure, properly sealed, and protected from damage during transit. Consult current ADR regulations for complete shipping requirements and restrictions.
Is 3-methylpent-2-en-4-yn-1-ol subject to specific regulations?
3-methylpent-2-en-4-yn-1-ol is subject to standard chemical regulations including REACH registration requirements in the European Union. The substance is not classified as a Substance of Very High Concern (SVHC) and has no specific GHS hazard classification. However, it must comply with general chemical safety regulations, transport classifications (ADR Class 8), and workplace safety standards. Manufacturers and importers must ensure proper registration, notification, and safety data sheet provision. Always verify current regulatory status as requirements may change over time.
Where to buy 3-methylpent-2-en-4-yn-1-ol in Europe?
3-methylpent-2-en-4-yn-1-ol is available through OYSI, a specialized European distributor of technical chemicals and fine chemical products. OYSI provides reliable access to this compound for industrial, research, and manufacturing applications across European markets. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for all supplied materials. Contact OYSI directly for availability, specifications, packaging options, and delivery arrangements to meet your specific requirements for 3-methylpent-2-en-4-yn-1-ol in European locations.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.