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 an aliphatic ketone with flammable properties and characteristic solvent capabilities used in industrial applications. This branched-chain ketone represents a significant member of the aliphatic ketone family, featuring a seven-carbon backbone with a methyl substituent at the fifth position and a carbonyl group at the third carbon. With its molecular formula C8H16O and molecular weight of 128.21 g/mol, 5-methylheptan-3-one exhibits properties typical of medium-chain ketones while offering unique characteristics due to its specific branched structure. The compound is classified as a flammable liquid (Class 3) under ADR regulations, requiring appropriate handling protocols in industrial environments. Safety considerations include its classification as a specific target organ toxicant following single exposure (STOT SE 3) and its potential to cause eye irritation (Eye Irrit. 2). The GHS pictograms GHS02 and GHS07 with the warning signal word indicate the need for proper ventilation and protective equipment during handling operations. In industrial applications, 5-methylheptan-3-one serves primarily as a solvent in coating formulations, paint thinners, and extraction processes where its moderate polarity and volatility provide optimal performance characteristics. The chemical industry also utilizes this ketone as an intermediate in organic synthesis reactions and as a component in specialty cleaning formulations. Its solvent properties can be compared to other industrial solvents such as pentyl formate, though each offers distinct advantages depending on the specific application requirements. The branched structure of 5-methylheptan-3-one influences its physical properties, including boiling point and solubility characteristics, making it particularly suitable for applications requiring controlled evaporation rates. OYSI maintains reliable supply chains for 5-methylheptan-3-one to support diverse industrial requirements across European markets.

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 branched ketone has a molecular weight of 128.21 g/mol and belongs to the family of aliphatic ketones. It is classified as a flammable liquid with moderate hazard properties, requiring appropriate safety precautions during handling and storage in industrial applications.

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

5-methylheptan-3-one is a liquid ketone at room temperature with a molecular formula C8H16O and molecular weight of 128.21 g/mol. As a ketone, it typically exhibits limited water solubility but good solubility in organic solvents. The compound has a characteristic ketone odor and is classified as a Class 3 flammable liquid, indicating moderate flammability hazards under normal conditions.

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 the production of various chemicals, pharmaceuticals, and specialty compounds. It may also find applications in solvent formulations and as a reagent in research and development activities within the chemical industry.

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

5-methylheptan-3-one requires careful handling due to its flammable properties and potential for eye irritation. Wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas away from ignition sources, heat, and open flames. Avoid direct contact with eyes and skin, and ensure proper grounding of equipment to prevent static electricity buildup during transfer operations.

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

5-methylheptan-3-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames. Keep containers in a fire-resistant storage area with appropriate fire suppression systems. Store away from strong oxidizing agents and incompatible materials. Maintain storage temperatures below the flash point and ensure containers are properly labeled with hazard information.

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

In case of eye contact with 5-methylheptan-3-one, immediately rinse eyes with plenty of clean water for at least 15 minutes and seek medical attention. For skin contact, wash thoroughly with soap and water. If inhaled, move the person to fresh air and monitor for respiratory symptoms. In case of ingestion, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse.

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

5-methylheptan-3-one must be disposed of according to local and national hazardous waste regulations as a flammable organic waste. Contact licensed hazardous waste disposal companies for proper collection and treatment. Never dispose of this chemical down drains, sewers, or in regular waste streams. Ensure proper documentation and manifesting of waste shipments. Consider recycling or recovery options when economically and environmentally viable.

How to transport 5-methylheptan-3-one?

5-methylheptan-3-one is classified under ADR as Class 3 (flammable liquids), Packing Group III for transportation purposes. This classification requires appropriate UN specification packaging, proper labeling with flammable liquid hazard labels, and compliance with ADR transport documentation requirements. Vehicles must carry appropriate emergency equipment and drivers need proper hazardous materials training for legal transport within Europe.

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

5-methylheptan-3-one is subject to REACH regulation requiring registration for import/manufacture above one tonne annually in the EU. It falls under CLP regulation for classification and labeling as Flam. Liq. 3, STOT SE 3, and Eye Irrit. 2. The compound is not currently listed as a Substance of Very High Concern (SVHC). Compliance with national chemical safety regulations and workplace exposure limits may also apply.

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

5-methylheptan-3-one is available through OYSI, a leading European distributor of specialty chemicals and industrial compounds. OYSI provides reliable supply chain solutions across Europe with proper regulatory compliance and technical support. Contact OYSI directly for availability, specifications, packaging options, and delivery arrangements to meet your specific industrial or research requirements while ensuring full regulatory compliance.

Data Sources

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