5-methylhexan-2-one
C7H14O
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Identification
- CAS Number
- 110-12-3
- EC Number
- 203-737-8
- UN Number
- 2302
- Index Number
- 606-026-00-4
- PubChem CID
- 8034
Physical-chemical properties
- Molecular Formula
- C7H14O
- Molar Mass
- 114.19 g/mol
- IUPAC Name
- 5-methylhexan-2-one
Chemical Identifiers
- InChI
- InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
- InChI Key
- FFWSICBKRCICMR-UHFFFAOYSA-N
Overview
5-methylhexan-2-one (CAS 110-12-3) is an aliphatic methyl ketone with moderate volatility and characteristic ketone reactivity properties. This branched-chain ketone represents an important intermediate in organic synthesis and industrial chemistry applications. As a seven-carbon ketone with a methyl branch at the 5-position, 5-methylhexan-2-one exhibits typical carbonyl chemistry while offering unique steric and electronic properties due to its specific molecular structure. The compound belongs to the broader family of aliphatic ketones, sharing similar chemical behavior with related substances such as cyclohexanone and heptan-4-one, though its branched structure provides distinct solubility and reactivity characteristics. From a safety perspective, 5-methylhexan-2-one is classified as a flammable liquid category 3 and presents acute toxicity hazards category 4, requiring appropriate handling precautions including proper ventilation, ignition source control, and personal protective equipment. The substance displays GHS02 and GHS07 pictograms with a warning signal word, indicating moderate but manageable risk levels when proper safety protocols are followed. Its ADR class 3 classification necessitates compliance with transportation regulations for flammable liquids. Industrial applications of 5-methylhexan-2-one primarily include its use as a chemical intermediate in pharmaceutical synthesis, where its ketone functionality serves as a versatile building block for complex molecule construction. Additionally, the compound finds application in specialty solvent formulations and as a precursor in the manufacture of fine chemicals where controlled reactivity and specific molecular architecture are required. OYSI maintains reliable supply chains for 5-methylhexan-2-one to support European industrial customers' technical chemical requirements.
Safety & Classification
Flam. Liq. 3; Acute Tox. 4 *
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 2302 |
| ADR Class | 3 |
| Packing Group | III |
| Tunnel Code | D/E |
| Proper Shipping Name | 5-Methylhexan-2-on |
| Marine Pollutant | No |
Frequently Asked Questions
What is 5-methylhexan-2-one?
5-methylhexan-2-one is an organic ketone compound with the molecular formula C7H14O and CAS number 110-12-3. This chemical belongs to the family of aliphatic ketones, featuring a seven-carbon chain with a methyl branch at the fifth position and a ketone functional group at the second position. With a molecular weight of 114.19 g/mol, it is classified as a flammable liquid and requires appropriate safety precautions during handling and storage.
What are the physicochemical properties of 5-methylhexan-2-one?
5-methylhexan-2-one is a colorless to pale yellow liquid at room temperature with a characteristic ketone odor. As an organic ketone, it exhibits moderate volatility and is soluble in most organic solvents while having limited solubility in water. The compound has a molecular weight of 114.19 g/mol and contains seven carbon atoms arranged in a branched aliphatic structure with a ketone functional group, giving it typical ketone chemical reactivity.
What is 5-methylhexan-2-one used for?
5-methylhexan-2-one is primarily used as a solvent in various industrial applications and as an intermediate in organic synthesis. Its ketone structure makes it valuable in the production of other chemical compounds, including pharmaceuticals, fragrances, and specialty chemicals. The compound may also find applications in coating formulations, cleaning products, and as a reaction medium in chemical processes where a ketone solvent with specific properties is required.
How to handle 5-methylhexan-2-one safely?
5-methylhexan-2-one requires careful handling due to its flammable nature (Flam. Liq. 3) and acute toxicity (Acute Tox. 4). Essential safety measures include wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and ensuring adequate ventilation. Keep away from ignition sources, heat, and open flames. Work in well-ventilated areas or under fume hoods, and have fire extinguishing equipment readily available during handling operations.
How to store 5-methylhexan-2-one correctly?
5-methylhexan-2-one should be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames due to its flammable liquid classification. Use appropriate containers made of compatible materials and ensure proper labeling with GHS pictograms GHS02 and GHS07. Store separately from strong oxidizing agents and incompatible materials. Maintain storage temperature below the flash point and ensure containers are properly sealed to prevent vapor accumulation.
What to do in case of contact with 5-methylhexan-2-one?
Immediate action is required upon contact with 5-methylhexan-2-one due to its acute toxicity classification. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.
How to dispose of 5-methylhexan-2-one appropriately?
5-methylhexan-2-one must be disposed of according to local and national hazardous waste regulations due to its flammable and toxic properties. The compound should never be disposed of down drains or in regular waste streams. Contact licensed waste disposal companies specialized in handling flammable organic solvents. Ensure proper waste classification and documentation. Small quantities may be suitable for solvent recovery programs, while larger volumes require professional hazardous waste treatment facilities.
How to transport 5-methylhexan-2-one?
5-methylhexan-2-one is classified under ADR Class 3 (flammable liquids), Packing Group III for transportation purposes. Proper packaging must meet UN specification requirements for Class 3 substances. Vehicles must carry appropriate placards and emergency information. Drivers require ADR training certification for dangerous goods transport. Ensure proper documentation including transport documents and emergency response information. Use approved containers and follow specific loading, segregation, and routing requirements for flammable liquid transport.
Is 5-methylhexan-2-one subject to specific regulations?
5-methylhexan-2-one is subject to various European chemical regulations including REACH registration requirements and CLP classification standards. The compound is classified under CLP regulation with hazard classes Flam. Liq. 3 and Acute Tox. 4, requiring specific labeling with warning signal word and GHS pictograms GHS02 and GHS07. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with workplace exposure limits and safety data sheet requirements.
Where to buy 5-methylhexan-2-one in Europe?
5-methylhexan-2-one is available through OYSI, a trusted European distributor of technical chemical products. OYSI provides reliable supply chain solutions for industrial customers across Europe, ensuring proper handling, documentation, and regulatory compliance. As a specialized chemical distributor, OYSI maintains appropriate certifications and expertise in dangerous goods logistics. Contact OYSI directly for availability, technical specifications, safety documentation, and delivery options tailored to your specific industrial requirements and location within Europe.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.