5-methylhexan-2-one

C7H14O

CAS110-12-3
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
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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 a branched ketone with flammable properties and moderate toxicity characteristics used in industrial applications. This seven-carbon ketone represents an important member of the aliphatic ketone family, featuring a methyl branch at the fifth carbon position that distinguishes it from linear ketones like heptan-4-one. With its molecular formula C7H14O and molecular weight of 114.19 g/mol, 5-methylhexan-2-one exhibits typical ketone reactivity while offering unique steric and physical properties due to its branched structure. The compound is classified under GHS as a flammable liquid category 3 and acute toxicity category 4, requiring appropriate handling precautions in industrial environments. The substance displays characteristic ketone properties including moderate volatility and solubility characteristics that make it suitable for various industrial processes. Its branched structure influences its boiling point and evaporation rate compared to linear ketones, affecting its performance in applications requiring specific volatility profiles. Safety considerations include proper ventilation and fire prevention measures due to its flammable nature, with ADR class 3 transportation requirements. Primary industrial applications include use as a solvent in coating formulations, where its controlled evaporation rate provides processing advantages, and as an intermediate in organic synthesis reactions. The compound also finds application in specialty chemical manufacturing where its specific molecular structure contributes to desired product characteristics. Like related ketones such as cyclohexanone, it serves important functions in industrial chemistry while requiring appropriate safety protocols. OYSI maintains reliable supply chains for 5-methylhexan-2-one to support European industrial customers' technical chemical requirements.

Safety & Classification

Warning
Classification:

Flam. Liq. 3; Acute Tox. 4 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

H332

Harmful if inhaled.

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

Harmful

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 Number2302
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping Name5-Methylhexan-2-on
Marine PollutantNo

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 features a seven-carbon chain with a ketone functional group at the second position and a methyl branch at the fifth carbon. With a molecular weight of 114.19 g/mol, it belongs to the family of aliphatic ketones and exhibits flammable properties, requiring careful handling in industrial applications.

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 a moderately polar organic compound, it shows limited solubility in water but readily dissolves in most organic solvents including alcohols, ethers, and hydrocarbons. The compound has a boiling point in the range typical for medium-chain ketones and exhibits moderate volatility under standard conditions.

What is 5-methylhexan-2-one used for?

5-methylhexan-2-one serves primarily as an intermediate in organic synthesis and as a solvent in various industrial processes. It finds applications in the production of pharmaceuticals, agrochemicals, and specialty chemicals where its ketone functionality enables further chemical transformations. The compound is also utilized in formulation chemistry for coatings, adhesives, and cleaning products due to its solvent properties and moderate volatility characteristics.

How to handle 5-methylhexan-2-one safely?

5-methylhexan-2-one requires careful handling due to its flammable nature and acute toxicity classification. Workers must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation to prevent vapor accumulation, eliminate ignition sources, and avoid skin and eye contact. Work in well-ventilated areas or under fume hoods, and have emergency equipment readily available.

How to store 5-methylhexan-2-one correctly?

5-methylhexan-2-one must be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames due to its Class 3 flammable liquid classification. Use appropriate containers made of compatible materials and ensure proper labeling with GHS pictograms. Keep away from oxidizing agents and incompatible materials, maintain storage temperatures below recommended limits, and implement proper fire prevention measures in storage areas.

What to do in case of contact with 5-methylhexan-2-one?

5-methylhexan-2-one exposure requires immediate action depending on the contact route. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical care while providing the safety data sheet to medical personnel.

How to dispose of 5-methylhexan-2-one appropriately?

5-methylhexan-2-one disposal must comply with local and national hazardous waste regulations due to its flammable and toxic properties. The substance should be collected in appropriate containers and transferred to authorized waste treatment facilities for proper incineration or chemical treatment. Never dispose of in regular drains, soil, or municipal waste streams. Consult local environmental authorities and waste management companies for specific disposal requirements and procedures.

How to transport 5-methylhexan-2-one?

5-methylhexan-2-one is classified as ADR Class 3, Packing Group III for transportation, identifying it as a flammable liquid with relatively lower risk. Transport requires appropriate UN-approved packaging, proper labeling with Class 3 hazard diamonds, and compliance with ADR regulations. Vehicles must carry appropriate fire extinguishing equipment, and drivers need hazardous materials training. Ensure proper documentation including transport documents and emergency response information accompanies shipments.

Is 5-methylhexan-2-one subject to specific regulations?

5-methylhexan-2-one is subject to European REACH regulation requiring registration for commercial use and CLP regulation for classification and labeling as Flam. Liq. 3 and Acute Tox. 4. The substance is not currently listed as an SVHC (Substance of Very High Concern) under REACH. Companies must ensure compliance with workplace exposure limits, proper safety data sheet provision, and appropriate risk assessment procedures for occupational use.

Where to buy 5-methylhexan-2-one in Europe?

5-methylhexan-2-one is available through OYSI, a trusted European distributor of technical chemicals serving industrial customers across the continent. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance support. As a specialized chemical distributor, OYSI ensures reliable supply chains and technical expertise to support your industrial applications while meeting all European regulatory requirements for chemical distribution.

Data Sources

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