2,6-dimethylheptan-4-one

C9H18O

CAS108-83-8
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
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Identification

CAS Number
108-83-8
EC Number
203-620-1
UN Number
1157
Index Number
606-005-00-X
PubChem CID
7958

Physical-chemical properties

Molecular Formula
C9H18O
Molar Mass
142.24 g/mol
IUPAC Name
2,6-dimethylheptan-4-one

Chemical Identifiers

InChI
InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChI Key
PTTPXKJBFFKCEK-UHFFFAOYSA-N

Overview

2,6-dimethylheptan-4-one (CAS 108-83-8) is an organic ketone compound characterized by its branched aliphatic structure and moderate flammability properties. This nine-carbon ketone represents an important intermediate in organic synthesis and industrial applications. With its molecular formula C9H18O and molar mass of 142.24 g/mol, 2,6-dimethylheptan-4-one features a carbonyl group positioned at the fourth carbon of a heptane chain, with methyl substituents at positions 2 and 6. This structural arrangement confers specific physical and chemical properties that make it valuable in various technical applications. From a safety perspective, this compound is classified as a Category 3 flammable liquid under GHS regulations, requiring standard precautions for handling and storage of combustible organic solvents. The STOT SE 3 classification indicates potential for specific target organ toxicity following single exposure, necessitating appropriate workplace safety measures including adequate ventilation and personal protective equipment. The compound falls under ADR Class 3 for transportation purposes, reflecting its flammable nature. Industrial applications of 2,6-dimethylheptan-4-one primarily include its use as a solvent in coating formulations, as an intermediate in organic synthesis, and in specialty chemical manufacturing processes. Its ketone functionality and moderate volatility make it particularly suitable for applications requiring controlled evaporation rates. Like related compounds such as 4-methylpentan-2-ol and butyl acetate, it finds use in formulations where specific solvency characteristics and compatibility with other organic compounds are required. OYSI maintains reliable supply chains for 2,6-dimethylheptan-4-one to serve the diverse needs of European chemical manufacturers and formulators.

Safety & Classification

Warning
Classification:

Flam. Liq. 3; STOT SE 3

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

H335

May cause respiratory irritation.

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

Irritant

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 Number1157
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping NameDiisobutylketon
Marine PollutantNo

Frequently Asked Questions

What is 2,6-dimethylheptan-4-one?

2,6-dimethylheptan-4-one is an organic ketone compound with the molecular formula C9H18O and CAS number 108-83-8. It features a seven-carbon chain with methyl substituents at positions 2 and 6, and a ketone functional group at position 4. With a molecular weight of 142.24 g/mol, this branched aliphatic ketone is classified as a flammable liquid and exhibits moderate hazard properties requiring appropriate handling precautions.

What are the physicochemical properties of 2,6-dimethylheptan-4-one?

2,6-dimethylheptan-4-one is a colorless to pale yellow liquid at room temperature with a characteristic ketone odor. As a moderately polar organic compound, it shows limited solubility in water but good solubility in most organic solvents such as alcohols, ethers, and hydrocarbons. The branched structure influences its boiling point and volatility compared to linear ketones of similar molecular weight, making it suitable for various industrial applications.

What is 2,6-dimethylheptan-4-one used for?

2,6-dimethylheptan-4-one is primarily used as a solvent in industrial applications and as an intermediate in organic synthesis. Its ketone functionality makes it valuable for chemical reactions including condensations, reductions, and as a building block for more complex molecules. It may also find applications in formulation chemistry, cleaning products, and as a processing aid in various manufacturing operations where a medium-polarity solvent is required.

How to handle 2,6-dimethylheptan-4-one safely?

2,6-dimethylheptan-4-one must be handled with appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas or under fume extraction to avoid inhalation of vapors. Keep away from ignition sources, heat, and open flames due to its flammable nature (Flam. Liq. 3). Avoid skin and eye contact, and ensure emergency washing facilities are readily available during handling operations.

How to store 2,6-dimethylheptan-4-one correctly?

2,6-dimethylheptan-4-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and ignition. Keep containers grounded and bonded during transfer operations. Store away from incompatible materials such as strong oxidizing agents and bases. Ensure storage areas comply with local fire safety regulations for flammable liquids and maintain temperatures below flash point to prevent vapor accumulation.

What to do in case of contact with 2,6-dimethylheptan-4-one?

In case of skin contact with 2,6-dimethylheptan-4-one, immediately wash the affected area with plenty of water and soap, removing contaminated clothing. For eye contact, flush immediately with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid procedures and contact emergency services if symptoms persist.

How to dispose of 2,6-dimethylheptan-4-one properly?

2,6-dimethylheptan-4-one must be disposed of according to local, national, and EU waste regulations as hazardous chemical waste. Do not discharge into drains, waterways, or soil. Contact licensed waste disposal contractors for collection and treatment. Empty containers should be handled as hazardous waste unless properly cleaned. Consider recovery or recycling options where economically viable, and maintain proper waste documentation as required by applicable environmental legislation.

How to transport 2,6-dimethylheptan-4-one?

2,6-dimethylheptan-4-one is classified under ADR as Class 3 (flammable liquids), Packing Group III for transportation. It requires appropriate UN-specification packaging and labeling with flammable liquid hazard markings. Transport vehicles must comply with ADR regulations including appropriate equipment and driver training. Shipping documentation must include proper shipping names, hazard classes, and emergency response information. Ensure carriers are certified for hazardous materials transport.

Is 2,6-dimethylheptan-4-one subject to specific regulations?

2,6-dimethylheptan-4-one is subject to REACH regulation requiring registration for manufacture or import above one tonne per year in the EU. It falls under CLP regulation for classification and labeling as Flam. Liq. 3 and STOT SE 3. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits, transport regulations (ADR), and local environmental discharge restrictions where applicable.

Where to buy 2,6-dimethylheptan-4-one in Europe?

2,6-dimethylheptan-4-one is available through OYSI, a trusted European distributor of chemical products serving industrial customers across the continent. OYSI provides reliable supply chains, technical support, and regulatory compliance documentation for professional users. The company offers various packaging sizes to meet different industrial requirements and ensures proper handling and transport according to applicable safety and environmental regulations throughout Europe.

Data Sources

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