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 eye irritation properties. This chemical compound, also known by its IUPAC designation 4-hydroxy-4-methylpentan-2-one, represents a versatile organic intermediate with significant industrial relevance. With the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol, this substance belongs to the family of hydroxy ketones, characterized by the presence of both carbonyl and hydroxyl functional groups within its molecular structure. The compound is registered under EC number 204-626-7 and is classified for transportation purposes under ADR class 3. From a safety perspective, 4-hydroxy-4-methylpentan-2-one is classified as Eye Irritant Category 2 according to GHS standards, requiring the warning signal word and GHS07 pictogram on product labeling. This classification indicates that the substance may cause eye irritation upon direct contact, necessitating appropriate personal protective equipment during handling and processing operations. The dual functionality of this compound, combining ketone and alcohol groups, makes it particularly valuable in organic synthesis applications. It serves as an important building block in the pharmaceutical industry for intermediate synthesis, finds application in specialty chemical manufacturing, and is utilized in certain polymer modification processes. Its chemical structure shows some similarities to other organic compounds like methyl 3-oxobutanoate, which also features ketone functionality and is used in related synthetic applications. Industrial users appreciate this compound for its reactivity profile and compatibility with various chemical processes, making it suitable for custom synthesis requirements and specialized manufacturing applications. 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 derivative has a molecular weight of 116.16 g/mol and features both hydroxyl and carbonyl functional groups in its structure. It is classified as a mild eye irritant under GHS regulations and requires appropriate handling precautions in industrial 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. The compound contains both ketone and alcohol functional groups, which influence its solubility and chemical behavior. Its molecular weight of 116.16 g/mol makes it a relatively small organic molecule with moderate volatility characteristics suitable for various industrial applications.

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. This compound is utilized in the production of pharmaceuticals, fragrances, and specialty chemicals due to its reactive ketone and alcohol functional groups. Its versatile chemical structure makes it valuable for various industrial applications requiring specific molecular building blocks.

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

4-hydroxy-4-methylpentan-2-one requires careful handling as it is classified as Eye Irritant Category 2 with Warning signal word. Wear appropriate eye protection, chemical-resistant gloves, and protective clothing when handling this substance. Ensure adequate ventilation in work areas and avoid direct contact with skin and eyes. Follow standard chemical handling procedures and maintain safety data sheets readily available for reference.

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

4-hydroxy-4-methylpentan-2-one should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly closed and properly labeled to prevent contamination and evaporation. Store away from incompatible materials such as strong oxidizing agents. Maintain storage temperatures within recommended ranges and ensure proper inventory rotation to maintain product quality.

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

Immediate action is required if contact occurs with 4-hydroxy-4-methylpentan-2-one, especially given its eye irritant classification. In case of eye contact, rinse immediately with plenty of 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. Remove contaminated clothing and seek medical advice if irritation persists.

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

4-hydroxy-4-methylpentan-2-one must be disposed of in accordance with local, national, and international waste regulations. Contact licensed waste disposal companies for proper treatment and disposal of this chemical substance. Do not discharge into drains, waterways, or soil. Maintain proper documentation of waste disposal activities and ensure compliance with environmental protection requirements in your jurisdiction.

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

4-hydroxy-4-methylpentan-2-one is classified as ADR Class 3 (Flammable Liquids), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation for road transport. Ensure proper placarding of transport vehicles and compliance with dangerous goods regulations. Use approved containers and follow specific loading, segregation, and handling requirements during transportation.

Is 4-hydroxy-4-methylpentan-2-one subject to particular 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. The substance is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with workplace safety regulations, proper labeling requirements, and maintain appropriate safety data sheets for regulatory compliance.

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 raw materials. OYSI provides reliable supply chains across Europe with proper documentation, quality assurance, and regulatory compliance support. Contact OYSI directly for availability, technical specifications, packaging options, and delivery arrangements to meet your specific industrial requirements.

Data Sources

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