4-hydroxy-4-methylpentan-2-one

C6H12O2

CAS123-42-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
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Identification

CAS Number
123-42-2
EC Number
204-626-7
UN Number
1148
Index Number
603-016-00-1
PubChem CID
31256

Physical-chemical properties

Molecular Formula
C6H12O2
Molar Mass
116.16 g/mol
IUPAC Name
4-hydroxy-4-methylpentan-2-one

Chemical Identifiers

InChI
InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChI Key
SWXVUIWOUIDPGS-UHFFFAOYSA-N

Overview

4-hydroxy-4-methylpentan-2-one (CAS 123-42-2) is an organic ketone compound with hydroxyl functionality and notable solvent properties. This versatile chemical compound, also identified by EC number 204-626-7, represents an important class of hydroxylated ketones widely utilized across various industrial applications. With its molecular formula C6H12O2 and molecular weight of 116.16 g/mol, 4-hydroxy-4-methylpentan-2-one exhibits unique dual functionality through both its ketone and alcohol groups, making it particularly valuable in synthetic chemistry and industrial processes. The compound's chemical structure features a ketone group at the second carbon position and a tertiary alcohol group at the fourth carbon, creating distinctive reactivity patterns that distinguish it from simpler ketones. This structural arrangement provides enhanced stability while maintaining reactivity suitable for various chemical transformations. Unlike related compounds such as methyl 3-oxobutanoate, this molecule's tertiary alcohol group contributes to its unique solubility characteristics and chemical behavior. From a safety perspective, 4-hydroxy-4-methylpentan-2-one is classified under ADR Class 3 and carries the GHS07 pictogram with a "Warning" signal word, indicating Eye Irritation Category 2 properties. Proper handling procedures and appropriate personal protective equipment are essential when working with this material to prevent eye contact and ensure workplace safety. Industrial applications include its use as a chemical intermediate in organic synthesis, particularly in the production of pharmaceuticals and specialty chemicals. The compound also serves as an effective solvent in various formulation processes and finds application in the manufacture of coatings and adhesives where its dual functionality provides advantageous performance characteristics. OYSI maintains reliable supply chains for 4-hydroxy-4-methylpentan-2-one to support European industrial customers' technical chemical requirements.

Safety & Classification

Warning
Classification:

Eye Irrit. 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

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 Number1148
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping NameDiacetonalkohol
Marine PollutantNo

Frequently Asked Questions

What is 4-hydroxy-4-methylpentan-2-one?

4-hydroxy-4-methylpentan-2-one is an organic chemical compound with the molecular formula C6H12O2 and CAS number 123-42-2. This ketone has a molecular weight of 116.16 g/mol and contains both hydroxyl and carbonyl functional groups. It is classified as a mild eye irritant under GHS regulations and requires appropriate handling precautions in industrial and laboratory applications.

What are the physicochemical properties of 4-hydroxy-4-methylpentan-2-one?

4-hydroxy-4-methylpentan-2-one is a liquid organic compound at room temperature with the molecular formula C6H12O2. It typically appears as a colorless to pale yellow liquid with a characteristic ketone odor. The compound has moderate polarity due to its hydroxyl and carbonyl groups, making it soluble in polar solvents like water and alcohols while maintaining some solubility in organic solvents.

What is 4-hydroxy-4-methylpentan-2-one used for?

4-hydroxy-4-methylpentan-2-one serves as an important intermediate in organic synthesis and chemical manufacturing processes. It is commonly used in the production of pharmaceuticals, fine chemicals, and specialty compounds. The compound's dual functional groups make it valuable for further chemical transformations, including condensation reactions and as a building block for more complex molecular structures in industrial applications.

How to handle 4-hydroxy-4-methylpentan-2-one safely?

4-hydroxy-4-methylpentan-2-one requires careful handling due to its eye irritation potential (Eye Irrit. 2 classification). Always wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Ensure adequate ventilation in work areas and avoid direct contact with skin and eyes. Handle in well-ventilated areas away from ignition sources due to its flammable nature.

How to store 4-hydroxy-4-methylpentan-2-one correctly?

4-hydroxy-4-methylpentan-2-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and ignition sources. Keep containers upright and protect from direct sunlight and temperature fluctuations. Store away from strong oxidizing agents and incompatible materials. Ensure storage areas comply with local fire safety regulations for flammable liquids and maintain appropriate temperature controls.

What to do in case of contact with 4-hydroxy-4-methylpentan-2-one?

In case of eye contact with 4-hydroxy-4-methylpentan-2-one, immediately flush 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 to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical attention immediately. Always consult the safety data sheet for complete first aid procedures.

How to dispose of 4-hydroxy-4-methylpentan-2-one appropriately?

4-hydroxy-4-methylpentan-2-one must be disposed of according to local and national hazardous waste regulations. The compound cannot be disposed of in regular waste streams due to its chemical nature and flammability classification. Contact licensed waste disposal companies specialized in organic chemical waste. Ensure proper labeling and documentation for waste tracking. Never discharge into sewers, waterways, or soil without proper treatment and authorization.

How to transport 4-hydroxy-4-methylpentan-2-one?

4-hydroxy-4-methylpentan-2-one is classified under ADR Class 3 (flammable liquids), Packing Group III for transportation. It must be packaged in UN-approved containers with appropriate labeling and documentation. Transport vehicles must comply with ADR regulations for Class 3 substances. Ensure proper ventilation during transport and avoid exposure to heat sources. All transport documentation must include the correct shipping name and hazard classifications.

Is 4-hydroxy-4-methylpentan-2-one subject to specific regulations?

4-hydroxy-4-methylpentan-2-one is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification as Eye Irritant Category 2. It is not classified as a Substance of Very High Concern (SVHC). Users must comply with workplace safety regulations, transportation requirements under ADR, and proper labeling according to GHS standards including the Warning signal word and GHS07 pictogram.

Where to buy 4-hydroxy-4-methylpentan-2-one in Europe?

4-hydroxy-4-methylpentan-2-one is available through OYSI, a leading European distributor of specialty chemicals and industrial compounds. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance. Contact OYSI's technical team for specific quantities, packaging options, and delivery arrangements. All products come with full traceability and meet European quality standards for industrial applications.

Data Sources

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