4-methylpent-3-en-2-one

C6H10O

CAS141-79-7
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
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Identification

CAS Number
141-79-7
EC Number
205-502-5
UN Number
1229
Index Number
606-009-00-1
PubChem CID
8858

Physical-chemical properties

Molecular Formula
C6H10O
Molar Mass
98.14 g/mol
IUPAC Name
4-methylpent-3-en-2-one

Chemical Identifiers

InChI
InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
InChI Key
SHOJXDKTYKFBRD-UHFFFAOYSA-N

Overview

4-methylpent-3-en-2-one (CAS 141-79-7) is an unsaturated ketone with a distinctive structure featuring both a carbonyl group and a carbon-carbon double bond. This organic compound, also known by its IUPAC designation 4-methylpent-3-en-2-one, represents a versatile chemical intermediate widely utilized across various industrial applications. With the molecular formula C6H10O and a molecular weight of 98.14 g/mol, this unsaturated ketone exhibits characteristic properties that make it valuable in synthetic chemistry and industrial processes. The compound's structure incorporates both ketone functionality and alkene reactivity, providing multiple sites for chemical transformation. From a safety perspective, 4-methylpent-3-en-2-one is classified as a flammable liquid (Category 3) and carries acute toxicity warnings (Category 4) across multiple exposure routes. The substance requires careful handling protocols, as indicated by its GHS02 and GHS07 pictograms and "Warning" signal word. Transportation falls under ADR Class 3 due to its flammable nature, necessitating appropriate packaging and shipping procedures. The compound finds application in several industrial sectors, particularly as a chemical intermediate in organic synthesis where its dual functionality proves advantageous. It serves as a building block in pharmaceutical manufacturing and specialty chemical production. Additionally, the substance functions as a solvent in specific formulation applications, similar to how other industrial solvents like 1,4-xylene are employed in related processes. Industrial users often evaluate 4-methylpent-3-en-2-one alongside related compounds such as 2-methylpropyl prop-2-enoate when selecting appropriate chemical intermediates for their specific synthetic pathways. OYSI maintains reliable supply chains for this technical chemical, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.

Safety & Classification

Warning
Classification:

Flam. Liq. 3; Acute Tox. 4 *; Acute Tox. 4 *; Acute Tox. 4 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

H332

Harmful if inhaled.

H312

Harmful in contact with skin.

H302

Harmful if swallowed.

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:

Skin Contact

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call 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 Number1229
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping NameMesityloxid
Marine PollutantNo

Frequently Asked Questions

What is 4-methylpent-3-en-2-one?

4-methylpent-3-en-2-one is an organic ketone compound with the molecular formula C6H10O and CAS number 141-79-7. This unsaturated ketone features a six-carbon chain with a methyl substituent and a double bond, giving it distinctive chemical properties. With a molecular weight of 98.14 g/mol, it belongs to the class of α,β-unsaturated ketones and is classified as a flammable liquid with moderate toxicity warnings under GHS regulations.

What are the physicochemical properties of 4-methylpent-3-en-2-one?

4-methylpent-3-en-2-one is a colorless to pale yellow liquid at room temperature with a characteristic fruity, sweet odor. As an organic ketone, it has moderate polarity and limited water solubility but readily dissolves in organic solvents like alcohols, ethers, and hydrocarbons. The presence of the conjugated double bond system affects its reactivity and stability, making it susceptible to oxidation and polymerization under certain conditions.

What is 4-methylpent-3-en-2-one used for?

4-methylpent-3-en-2-one is primarily used as a flavoring agent and fragrance component in the food and cosmetic industries due to its pleasant fruity aroma. It serves as an intermediate in organic synthesis for producing pharmaceuticals, agrochemicals, and specialty chemicals. The compound is also utilized in the manufacture of perfumes, essential oil blends, and as a solvent in certain chemical processes requiring selective dissolution properties.

How to handle 4-methylpent-3-en-2-one safely?

4-methylpent-3-en-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 respiratory protection when necessary. Work areas should have adequate ventilation, and all ignition sources must be eliminated. The compound should be handled in well-ventilated areas or under fume hoods to prevent inhalation exposure and skin contact.

How to store 4-methylpent-3-en-2-one correctly?

4-methylpent-3-en-2-one must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames. Storage temperature should be kept below 25°C to prevent volatilization and degradation. The storage area should be equipped with fire suppression systems and spill containment measures. Keep containers away from oxidizing agents and strong acids to prevent unwanted chemical reactions.

What to do in case of contact with 4-methylpent-3-en-2-one?

Immediate action is required in case of contact with 4-methylpent-3-en-2-one. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move the person to fresh air immediately and seek medical attention if breathing difficulties occur. In case of eye contact, flush with clean water for 15 minutes and remove contact lenses if present. Seek medical attention if irritation persists or if ingestion occurs.

How to dispose of 4-methylpent-3-en-2-one properly?

4-methylpent-3-en-2-one must be disposed of according to local and national hazardous waste regulations as it is classified as flammable and toxic waste. The compound should never be poured down drains or disposed of with regular waste. Contact licensed hazardous waste disposal companies for proper collection and treatment. Small quantities may be neutralized through controlled incineration at high temperatures in approved facilities with appropriate emission controls.

How to transport 4-methylpent-3-en-2-one?

4-methylpent-3-en-2-one is classified under ADR Class 3 (Flammable Liquids), Packing Group III for transportation purposes. It requires appropriate UN-specification packaging and proper hazard labeling including flammable liquid placards. Transportation vehicles must comply with ADR regulations for flammable substances, including equipment for fire suppression and spill containment. Drivers must hold valid ADR certification and carry proper transport documentation and emergency response information.

Is 4-methylpent-3-en-2-one subject to specific regulations?

4-methylpent-3-en-2-one is regulated under European REACH legislation requiring registration for quantities above 1 tonne annually. It is classified according to CLP regulation with Warning signal word and GHS02/GHS07 pictograms. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must ensure proper risk assessment, safety data sheet availability, and compliance with workplace exposure limits and environmental discharge regulations.

Where to buy 4-methylpent-3-en-2-one in Europe?

4-methylpent-3-en-2-one is available through OYSI, a leading European distributor of specialty chemicals and industrial raw materials. OYSI provides high-quality 4-methylpent-3-en-2-one with complete regulatory documentation including safety data sheets and certificates of analysis. As an established chemical distributor, OYSI ensures reliable supply chains, proper packaging, and compliance with European chemical regulations for professional and industrial customers across Europe.

Data Sources

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