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 primary hydroxyl group. This specialty chemical compound represents a unique structural combination of multiple unsaturated bonds, making it particularly valuable in organic synthesis and industrial applications. With the molecular formula C6H8O and a molecular weight of 96.13 g/mol, this compound belongs to the family of acetylenic alcohols, characterized by the presence of a terminal alkyne group adjacent to a substituted alkene chain bearing a primary alcohol functionality. The compound's structure incorporates a methyl branch at the third carbon position, contributing to its distinctive chemical reactivity profile. The presence of both C=C and C≡C bonds, along with the hydroxyl group, provides multiple sites for chemical modification and derivatization reactions. This structural versatility makes it particularly useful in synthetic organic chemistry, where it can serve as a building block for more complex molecules. From a safety perspective, 3-methylpent-2-en-4-yn-1-ol is classified under ADR transport class 8, indicating its corrosive nature requiring appropriate handling precautions. Unlike more hazardous chemicals such as trichlorostibane or benzene-1,4-dicarbonyl chloride, this compound presents a more manageable safety profile for industrial applications. Primary industrial applications include its use as an intermediate in pharmaceutical synthesis, specialty polymer production, and fine chemical manufacturing. The compound's unique reactivity makes it valuable in the production of advanced materials and specialized organic compounds. OYSI maintains reliable supply chains for 3-methylpent-2-en-4-yn-1-ol to serve European industrial customers requiring this specialized acetylenic alcohol for their technical applications.
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 CAS number 105-29-3. This chemical belongs to the family of unsaturated alcohols, featuring both alkene and alkyne functional groups along with a primary alcohol group. With a molecular weight of 96.13 g/mol, it is characterized by its complex structure containing a five-carbon chain with a methyl substituent, double bond, triple bond, and hydroxyl group.
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 organic compound at room temperature due to its relatively low molecular weight of 96.13 g/mol. The presence of the hydroxyl group makes it polar and likely soluble in polar solvents like alcohols and partially soluble in water. The compound contains both unsaturated bonds (alkene and alkyne) which may contribute to its reactivity and potential for polymerization 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 chemical manufacturing processes. Its unique structure with multiple functional groups makes it valuable for pharmaceutical synthesis, fine chemical production, and as a building block for more complex molecules. The compound may also find applications in specialty chemical formulations, research and development activities, and as a precursor for various chemical transformations in industrial processes.
How to handle 3-methylpent-2-en-4-yn-1-ol safely?
3-methylpent-2-en-4-yn-1-ol should be handled with standard laboratory safety precautions despite having no specific GHS classification. Wear appropriate personal protective equipment including safety glasses, chemical-resistant gloves, and laboratory coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. Avoid contact with skin and eyes, and prevent ingestion. Keep away from ignition sources and ensure proper grounding when transferring the material to prevent static discharge.
How to store 3-methylpent-2-en-4-yn-1-ol correctly?
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. Use tightly sealed containers made of compatible materials to prevent contamination and evaporation. Keep away from strong oxidizing agents and acids which may react with the alcohol and unsaturated bonds. Store in original containers with proper labeling and maintain inventory records for regulatory compliance and safety management.
What to do in case of contact with 3-methylpent-2-en-4-yn-1-ol?
In case of skin contact with 3-methylpent-2-en-4-yn-1-ol, 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 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention. Contact emergency services if symptoms develop or persist after exposure.
How to dispose of 3-methylpent-2-en-4-yn-1-ol properly?
3-methylpent-2-en-4-yn-1-ol must be disposed of according to local, national, and European waste regulations as a chemical waste. Contact licensed waste management companies for proper disposal services. Do not discharge into sewers, waterways, or soil. Small laboratory quantities may be collected in appropriate waste containers for hazardous organic waste. Ensure proper labeling of waste containers and maintain disposal records for regulatory compliance and environmental protection.
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 protocols. Use UN-approved packaging suitable for corrosive liquids and ensure proper labeling with ADR placards. Transport documents must include proper shipping names, hazard class, and emergency contact information. Only use carriers certified for dangerous goods transport and ensure compliance with European ADR regulations for road transport of hazardous materials.
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 European chemical regulations including REACH registration requirements for commercial use. The substance is not classified as SVHC (Substance of Very High Concern) under REACH. Comply with CLP regulation for classification, labeling, and packaging. Industrial users must follow workplace safety regulations and maintain safety data sheets. Export/import may require additional documentation depending on destination countries and quantities involved.
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 laboratory reagents. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI's technical sales team for availability, specifications, packaging options, and delivery arrangements. As a professional chemical distributor, OYSI ensures quality products and regulatory compliance for industrial and research applications.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.