5-methylheptan-3-one

C8H16O

CAS541-85-5
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
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Identification

CAS Number
541-85-5
EC Number
208-793-7
UN Number
2271
Index Number
606-020-00-1
PubChem CID
7822

Physical-chemical properties

Molecular Formula
C8H16O
Molar Mass
128.21 g/mol
IUPAC Name
5-methylheptan-3-one

Chemical Identifiers

InChI
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChI Key
PSBKJPTZCVYXSD-UHFFFAOYSA-N

Overview

5-methylheptan-3-one (CAS 541-85-5) is a branched aliphatic ketone with flammable properties and moderate volatility characteristics. This eight-carbon ketone compound represents an important member of the methylated aliphatic ketone family, featuring a distinctive branched structure that influences its physical and chemical behavior. With the molecular formula C8H16O and a molecular weight of 128.21 g/mol, 5-methylheptan-3-one exhibits typical ketone reactivity while maintaining specific properties attributed to its methyl branching at the fifth carbon position. The compound's structural characteristics place it within a broader category of industrial solvents and chemical intermediates, sharing certain application domains with compounds such as pentyl formate in specialized formulation work. From a safety perspective, 5-methylheptan-3-one is classified as a Category 3 flammable liquid, requiring appropriate fire prevention measures during handling and storage. The compound presents moderate hazards including eye irritation (Category 2) and specific target organ toxicity following single exposure (Category 3), necessitating proper ventilation and personal protective equipment in industrial applications. Its ADR Class 3 classification confirms its flammable liquid status for transportation purposes, with Warning signal word and corresponding GHS02 and GHS07 pictograms indicating the primary hazard categories. Industrial applications for 5-methylheptan-3-one typically include its use as a solvent in specialized coating formulations, as an intermediate in organic synthesis processes, and in the production of specialty chemical products where its unique branched ketone structure provides specific performance characteristics. The compound's volatility and solubility profile make it particularly suitable for applications requiring controlled evaporation rates and selective dissolving properties. OYSI maintains reliable supply chains for 5-methylheptan-3-one to serve diverse European industrial requirements with consistent quality standards.

Safety & Classification

Warning
Classification:

Flam. Liq. 3; STOT SE 3; Eye Irrit. 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

H335

May cause respiratory irritation.

H319

Causes serious eye 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:

Eye Contact

Irritant

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

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 Number2271
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping NameEthyl-sec-amylketon
Marine PollutantNo

Frequently Asked Questions

What is 5-methylheptan-3-one?

5-methylheptan-3-one is an organic ketone compound with the molecular formula C8H16O and CAS number 541-85-5. This chemical belongs to the family of aliphatic ketones, characterized by a carbonyl group (C=O) at the third carbon position of a methylated heptane chain. With a molecular weight of 128.21 g/mol, it is classified as a flammable liquid with moderate hazard properties, requiring appropriate handling precautions in industrial applications.

What are the physicochemical properties of 5-methylheptan-3-one?

5-methylheptan-3-one is a liquid organic compound at room temperature with typical ketone characteristics. As an eight-carbon ketone (C8H16O), it exhibits moderate volatility and is likely to have a characteristic ketone odor. The compound's branched structure, with a methyl group at the fifth carbon position, influences its physical properties including boiling point, density, and solubility characteristics. Its flammable nature requires careful handling and storage considerations.

What is 5-methylheptan-3-one used for?

5-methylheptan-3-one is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. As a ketone compound, it serves as a building block for producing other chemicals, pharmaceuticals, or specialty materials. It may also find applications in solvent formulations, flavoring compounds, or as a reagent in various industrial processes. Its specific branched structure makes it valuable for creating targeted molecular modifications in synthetic chemistry applications.

How to handle 5-methylheptan-3-one safely?

5-methylheptan-3-one requires careful handling due to its flammable liquid classification (Flam. Liq. 3) and potential for eye irritation (Eye Irrit. 2) and narcotic effects (STOT SE 3). Essential safety measures include wearing appropriate personal protective equipment such as safety goggles, chemical-resistant gloves, and ensuring adequate ventilation. Avoid ignition sources, open flames, and hot surfaces. Handle in well-ventilated areas and use proper grounding procedures to prevent static electricity buildup.

How to store 5-methylheptan-3-one correctly?

5-methylheptan-3-one must 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 fire-resistant storage cabinets and ensure containers are tightly sealed to prevent vapor escape. Store away from oxidizing agents and incompatible materials. Maintain proper labeling with GHS02 and GHS07 pictograms, and ensure storage areas comply with local fire safety regulations for Class 3 flammable liquids.

What to do in case of contact with 5-methylheptan-3-one?

In case of eye contact with 5-methylheptan-3-one, immediately flush with plenty of clean water for at least 15 minutes and seek medical attention due to its eye irritant properties. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately as the compound may cause narcotic effects (STOT SE 3). In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult safety data sheets for complete first aid procedures.

How to dispose of 5-methylheptan-3-one appropriately?

5-methylheptan-3-one must be disposed of according to local, national, and international waste regulations as a hazardous chemical waste. Contact licensed waste disposal companies specialized in flammable organic solvents and ketones. Never dispose of down drains, sewers, or with regular waste due to its flammable nature and potential environmental impact. Ensure proper waste classification and documentation. Empty containers should also be handled as hazardous waste and may require special treatment or recycling procedures.

How to transport 5-methylheptan-3-one?

5-methylheptan-3-one is classified under ADR Class 3 (Flammable Liquids), Packing Group III for transportation purposes. Transport must comply with dangerous goods regulations using appropriate UN-specified packaging and labeling requirements. Vehicles must carry proper documentation, emergency response information, and drivers must have ADR certification. Ensure packages display the correct hazard labels (GHS02, GHS07) and follow quantity limitations for different transport categories. Professional logistics providers experienced in hazardous materials are recommended.

Is 5-methylheptan-3-one subject to specific regulations?

5-methylheptan-3-one is subject to REACH regulation requiring registration for manufacture or import above one tonne per year in the European Union. It falls under CLP regulation for classification and labeling as Flam. Liq. 3, Eye Irrit. 2, and STOT SE 3. The compound is not currently listed as a Substance of Very High Concern (SVHC). Compliance with occupational safety regulations, transport regulations (ADR), and local environmental protection laws is mandatory for commercial use.

Where to buy 5-methylheptan-3-one in Europe?

5-methylheptan-3-one is available through OYSI, a trusted European distributor of specialty chemicals and industrial raw materials. OYSI provides reliable supply chains across European markets with proper regulatory compliance, quality assurance, and technical support. As professional chemical distributors, they ensure appropriate packaging, labeling, and documentation for safe delivery. Contact OYSI directly for availability, specifications, and competitive pricing for your 5-methylheptan-3-one requirements in Europe.

Data Sources

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