2,2,5-trimethylhex-4-enal

C9H16O

CAS1000-30-2

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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 carbon chain structure and characteristic aldehyde functionality. This organic compound belongs to the family of aliphatic aldehydes, featuring a nine-carbon backbone with three methyl substituents positioned at the 2,2 and 5 positions, along with a double bond between carbons 4 and 5. With its molecular formula C9H16O and molecular weight of 140.22 g/mol, 2,2,5-trimethylhex-4-enal exhibits typical properties of medium-chain aldehydes while maintaining unique characteristics due to its specific structural arrangement. The compound's branched structure and unsaturation contribute to its distinct chemical behavior, making it valuable in various industrial applications. Unlike simpler compounds such as ethylbenzene, this aldehyde offers more complex reactivity patterns due to both its carbonyl group and alkene functionality. The presence of multiple methyl groups provides steric hindrance that can influence reaction selectivity and product formation in synthetic processes. From a safety perspective, 2,2,5-trimethylhex-4-enal is classified under ADR Class 3, indicating flammable liquid properties that require appropriate handling and storage precautions. Standard safety measures for organic solvents and aldehydes should be implemented during transport and use. Primary industrial applications include its use as an intermediate in organic synthesis, particularly in the production of specialty chemicals and fragrance compounds. The compound also serves as a building block in the manufacture of fine chemicals where its unique structural features provide specific reactivity profiles. Additionally, it finds application in certain polymer chemistry processes where aldehyde functionality is required. OYSI provides reliable access to 2,2,5-trimethylhex-4-enal for European industrial customers requiring this specialized aldehyde compound.

Safety & Classification

No Hazard Classification

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

Transport (ADR)

UN Number1993
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping Name2,2,5-Trimethylhex-4-enal
Marine PollutantNo

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-chain aldehyde features a six-carbon backbone with three methyl substituents and an aldehyde functional group. With a molecular weight of 140.22 g/mol, it belongs to the class of aliphatic aldehydes and is commonly used in fragrance and flavor applications due to its distinctive aromatic properties.

What are the physicochemical properties of 2,2,5-trimethylhex-4-enal?

2,2,5-trimethylhex-4-enal is a liquid aldehyde at room temperature with characteristic aromatic properties typical of branched aldehydes. As an organic compound with significant hydrocarbon content, it exhibits limited water solubility but good solubility in organic solvents such as alcohols and oils. The presence of the aldehyde functional group contributes to its reactivity and distinctive odor profile, making it valuable in fragrance formulations.

What is 2,2,5-trimethylhex-4-enal used for?

2,2,5-trimethylhex-4-enal is primarily used in the fragrance and flavor industry as an aromatic ingredient. Its aldehyde structure provides distinctive olfactory properties that make it valuable for perfume formulations, cosmetic products, and flavoring applications. The compound serves as a building block in the synthesis of more complex aromatic molecules and may be used in the production of specialty chemicals requiring specific aldehyde functionalities.

How to handle 2,2,5-trimethylhex-4-enal safely?

2,2,5-trimethylhex-4-enal should be handled with standard chemical safety precautions despite having no specific GHS classification. Wear appropriate personal protective equipment including safety glasses, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas to avoid inhalation of vapors. As with all organic chemicals, avoid contact with skin and eyes, and prevent ingestion. Use proper handling techniques and ensure adequate ventilation during transfer and processing operations.

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, well-ventilated area away from heat sources and direct sunlight. As an aldehyde, it may be sensitive to oxidation, so containers should be kept closed when not in use. Store away from strong oxidizing agents and bases that could react with the aldehyde functional group. Maintain storage temperatures within recommended ranges to preserve product stability and prevent degradation.

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, flush thoroughly with clean water for 15 minutes and seek medical attention if irritation persists. If inhaled, move to fresh air immediately. In case of accidental ingestion, do not induce vomiting and seek medical advice. Remove contaminated clothing and wash before reuse.

How to dispose of 2,2,5-trimethylhex-4-enal properly?

2,2,5-trimethylhex-4-enal should be disposed of in accordance with local, national, and international waste regulations. Contact licensed waste disposal companies for proper handling of organic chemical waste. Do not discharge into drains, water courses, or onto the ground. The compound should be treated as organic chemical waste and disposed of through appropriate channels. Consult local environmental authorities for specific disposal requirements and approved waste treatment facilities.

How to transport 2,2,5-trimethylhex-4-enal?

2,2,5-trimethylhex-4-enal is classified under ADR Class 3 (flammable liquids), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation for road transport within Europe. Use UN-approved packaging suitable for Class 3 materials and ensure proper hazard labels are applied. Transport vehicles must comply with ADR requirements for flammable liquids, and drivers should hold appropriate dangerous goods qualifications for Class 3 substances.

Is 2,2,5-trimethylhex-4-enal subject to specific regulations?

2,2,5-trimethylhex-4-enal is subject to standard European chemical regulations including REACH and CLP. 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 requirements, including proper registration under REACH if imported or manufactured above threshold quantities. Standard chemical safety data sheets and risk assessments apply for commercial use.

Where to buy 2,2,5-trimethylhex-4-enal in Europe?

2,2,5-trimethylhex-4-enal is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides reliable supply chains for industrial customers across Europe, ensuring product quality and regulatory compliance. As a professional chemical distributor, OYSI can provide technical support, safety documentation, and appropriate packaging for various application requirements. Contact OYSI directly for availability, specifications, and delivery options for your specific needs.

Data Sources

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