2,2,5-trimethylhex-4-enal
C9H16O
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Identification
- CAS Number
- 1000-30-2
- EC Number
- 213-670-6
- UN Number
- 1993
- PubChem CID
- 70467
Physical-chemical properties
- Molecular Formula
- C9H16O
- Molar Mass
- 140.22 g/mol
- IUPAC Name
- 2,2,5-trimethylhex-4-enal
Chemical Identifiers
- InChI
- InChI=1S/C9H16O/c1-8(2)5-6-9(3,4)7-10/h5,7H,6H2,1-4H3
- InChI Key
- TVJYZLLDEHOCJE-UHFFFAOYSA-N
Overview
2,2,5-trimethylhex-4-enal (CAS 1000-30-2) is an unsaturated aldehyde compound with a branched nine-carbon structure featuring characteristic methyl substitutions. This specialized aldehyde belongs to the family of branched aliphatic aldehydes, distinguished by its unique molecular structure containing three methyl groups positioned at the 2, 2, and 5 positions of a hexenal backbone. With the molecular formula C9H16O and a molecular weight of 140.22 g/mol, this compound exhibits properties typical of medium-chain aldehydes while offering distinct reactivity patterns due to its specific branching configuration. The compound's structure incorporates both an aldehyde functional group and an alkene double bond, making it a versatile intermediate in organic synthesis. Its branched nature provides steric characteristics that differentiate it from linear aldehydes, influencing both its chemical behavior and potential applications. Unlike more volatile compounds such as ethylbenzene, 2,2,5-trimethylhex-4-enal offers enhanced stability while maintaining useful reactivity profiles. In industrial applications, this aldehyde serves primarily as a chemical intermediate in the synthesis of specialty chemicals, particularly in the production of flavoring compounds and fragrance materials where its unique structural features contribute to specific organoleptic properties. The compound also finds use in pharmaceutical intermediate synthesis and as a building block for more complex molecular structures. Additionally, it functions as a precursor in the manufacture of specialty polymers and resins, similar to how 2-ethylbutyl acetate serves as an intermediate in ester production. OYSI maintains reliable supplies of 2,2,5-trimethylhex-4-enal to support diverse industrial applications across European markets, ensuring consistent quality and timely delivery for specialized chemical synthesis requirements.
Safety & Classification
No Hazard Classification
This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.
Transport (ADR)
| UN Number | 1993 |
| ADR Class | 3 |
| Packing Group | III |
| Tunnel Code | D/E |
| Proper Shipping Name | 2,2,5-Trimethylhex-4-enal |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2,2,5-trimethylhex-4-enal?
2,2,5-trimethylhex-4-enal is an organic aldehyde compound with the molecular formula C9H16O and CAS number 1000-30-2. This branched aliphatic aldehyde has a molecular weight of 140.22 g/mol and features three methyl substituents on a hexenal backbone. It belongs to the class of unsaturated aldehydes and is characterized by its distinctive chemical structure containing both a double bond and an aldehyde functional group.
What are the physicochemical properties of 2,2,5-trimethylhex-4-enal?
2,2,5-trimethylhex-4-enal is a liquid organic compound at room temperature with typical aldehyde characteristics. As an unsaturated aldehyde, it likely exhibits a characteristic aldehyde odor and is expected to have limited water solubility due to its hydrocarbon chain length. The compound's boiling point and density are typical for medium-chain aldehydes. Its chemical reactivity is influenced by both the aldehyde group and the double bond present in its structure.
What is 2,2,5-trimethylhex-4-enal used for?
2,2,5-trimethylhex-4-enal is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. Its aldehyde functionality makes it valuable for condensation reactions, while the unsaturated structure allows for various addition reactions. The compound may serve as a building block in the production of fragrances, flavoring agents, or other fine chemicals. It can also be utilized in research applications for studying aldehyde chemistry and organic transformations.
How to handle 2,2,5-trimethylhex-4-enal safely?
2,2,5-trimethylhex-4-enal should be handled with standard organic chemical safety precautions despite having no specific GHS hazard classification. Wear appropriate personal protective equipment including safety glasses, chemical-resistant gloves, and lab coats. Ensure adequate ventilation to prevent vapor accumulation. Avoid direct skin and eye contact, and prevent inhalation of vapors. Work in well-ventilated areas or under fume hoods when handling larger quantities to minimize exposure risks.
How to store 2,2,5-trimethylhex-4-enal correctly?
2,2,5-trimethylhex-4-enal should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and ignition sources. Keep containers away from direct sunlight and maintain storage temperatures below 25°C when possible. Store separately from strong oxidizing agents and bases that could react with the aldehyde group. Ensure proper labeling and use appropriate secondary containment to prevent spills and cross-contamination with incompatible materials.
What to do in case of contact with 2,2,5-trimethylhex-4-enal?
In case of skin contact with 2,2,5-trimethylhex-4-enal, immediately wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15-20 minutes and seek medical attention if irritation persists. If vapors are inhaled, move to fresh air immediately. In case of accidental ingestion, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse.
How to dispose of 2,2,5-trimethylhex-4-enal appropriately?
2,2,5-trimethylhex-4-enal must be disposed of according to local and national hazardous waste regulations as an organic chemical waste. Contact licensed waste disposal companies for proper handling and treatment. Do not pour down drains or release into the environment. Small laboratory quantities may be collected in appropriate organic waste containers for professional disposal. Always consult local environmental authorities for specific disposal requirements and approved waste management facilities in your region.
How to transport 2,2,5-trimethylhex-4-enal?
2,2,5-trimethylhex-4-enal is classified under ADR as Class 3 (flammable liquids), Packing Group III, indicating moderate flammability hazard during transport. Use appropriate UN-specification packaging designed for Class 3 substances. Ensure proper labeling with hazard diamonds and shipping documentation. Transport vehicles must comply with ADR requirements for Class 3 materials. Avoid transport during extreme temperatures and ensure packages are secure to prevent leakage or damage during transit.
Is 2,2,5-trimethylhex-4-enal subject to specific regulations?
2,2,5-trimethylhex-4-enal is subject to standard REACH registration requirements for chemical substances in the European Union. The compound 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, workplace exposure limits, and environmental protection standards. Users should maintain safety data sheets and follow good manufacturing practices when handling this substance in industrial applications.
Where to buy 2,2,5-trimethylhex-4-enal in Europe?
2,2,5-trimethylhex-4-enal is available through OYSI, a European distributor of specialty chemicals serving industrial and research customers across Europe. OYSI provides reliable supply chain management and technical support for this and other organic intermediates. Contact OYSI directly for availability, specifications, packaging options, and delivery to your location. As a specialized chemical distributor, OYSI ensures proper handling, documentation, and compliance with European chemical regulations for safe product delivery.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.