1-octylpyrrolidin-2-one

C12H23NO

CAS2687-94-7
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
2687-94-7
EC Number
403-700-8
UN Number
3267
Index Number
613-098-00-0
PubChem CID
3033871

Physical-chemical properties

Molecular Formula
C12H23NO
Molar Mass
197.32 g/mol
IUPAC Name
1-octylpyrrolidin-2-one

Chemical Identifiers

InChI
InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3
InChI Key
WPPOGHDFAVQKLN-UHFFFAOYSA-N

Overview

1-octylpyrrolidin-2-one (CAS 2687-94-7) is a cyclic amide compound with significant solvent properties and skin penetration enhancement capabilities. This N-alkylated pyrrolidinone derivative represents an important class of organic solvents widely utilized in industrial applications requiring effective dissolution and penetration properties. With its molecular formula C12H23NO and molecular weight of 197.32 g/mol, 1-octylpyrrolidin-2-one features a five-membered lactam ring structure with an octyl chain attachment, conferring both hydrophilic and lipophilic characteristics that make it particularly valuable as a solubilizing agent and chemical intermediate. The compound exhibits corrosive properties classified as Skin Corr. 1B under GHS regulations, requiring careful handling protocols and appropriate personal protective equipment during industrial use. Its classification also includes Aquatic Chronic 2, indicating potential long-term environmental effects that necessitate proper waste management procedures. The ADR Class 8 designation reflects its corrosive nature for transportation purposes. Primary industrial applications include its use as a solvent in pharmaceutical formulations, particularly for transdermal drug delivery systems where its penetration-enhancing properties prove essential. The chemical industry also employs 1-octylpyrrolidin-2-one in specialty cleaning formulations and as a reaction medium for various synthetic processes. Unlike simpler phenolic compounds such as 2-butan-2-yl-4-tert-butylphenol, this pyrrolidinone derivative offers superior solubilizing capabilities for complex organic molecules. OYSI maintains reliable supplies of 1-octylpyrrolidin-2-one to support diverse industrial applications across European markets, ensuring consistent quality standards for demanding technical applications.

Safety & Classification

Danger
Classification:

Skin Corr. 1B; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H314

Causes severe skin burns and eye damage.

H411

Toxic to aquatic life with long lasting effects.

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

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:

Eye Contact

Harmful

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 Number3267
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name1-Octylpyrrolidin-2-on
Marine PollutantNo

Frequently Asked Questions

What is 1-octylpyrrolidin-2-one?

1-octylpyrrolidin-2-one is a synthetic organic compound with the molecular formula C12H23NO and molecular weight of 197.32 g/mol. This chemical belongs to the pyrrolidinone family and features an octyl chain attached to the pyrrolidine ring. It is classified as a corrosive substance and requires careful handling due to its skin corrosive properties and environmental concerns.

What are the physicochemical properties of 1-octylpyrrolidin-2-one?

1-octylpyrrolidin-2-one is typically a liquid at room temperature with the molecular formula C12H23NO. As a pyrrolidinone derivative with a long alkyl chain, it exhibits amphiphilic properties, making it soluble in both polar and non-polar solvents. The compound's physical appearance and specific properties like boiling point and density depend on purity and manufacturing conditions.

What is 1-octylpyrrolidin-2-one used for?

1-octylpyrrolidin-2-one is primarily used as a penetration enhancer in pharmaceutical and cosmetic formulations. Its amphiphilic structure makes it effective for improving transdermal drug delivery and enhancing skin permeability of active ingredients. It may also find applications in specialty chemical synthesis and as a solvent or co-solvent in specific industrial processes requiring controlled penetration properties.

How to handle 1-octylpyrrolidin-2-one safely?

1-octylpyrrolidin-2-one requires strict safety precautions due to its Skin Corr. 1B classification. Always wear chemical-resistant gloves, safety goggles, and protective clothing when handling. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid direct skin and eye contact at all costs, as the substance can cause severe chemical burns and permanent damage.

How to store 1-octylpyrrolidin-2-one correctly?

1-octylpyrrolidin-2-one should be stored in tightly sealed, corrosion-resistant containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and clearly labeled with hazard information. Store away from oxidizing agents and strong bases. Ensure storage areas have appropriate spill containment measures and emergency eyewash stations nearby due to the corrosive nature.

What to do in case of contact with 1-octylpyrrolidin-2-one?

Immediate action is critical due to the corrosive nature of 1-octylpyrrolidin-2-one. For skin contact, immediately flush with copious amounts of water for at least 20 minutes while removing contaminated clothing. For eye contact, rinse continuously with water and seek immediate medical attention. If inhaled, move to fresh air immediately. Always seek professional medical advice promptly after any exposure incident.

How to dispose of 1-octylpyrrolidin-2-one appropriately?

1-octylpyrrolidin-2-one must be disposed of as hazardous waste according to local and national regulations. Never pour down drains or dispose of in regular waste streams due to its corrosive properties and environmental classification. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities may require neutralization before disposal, but this should only be done by trained professionals.

How to transport 1-octylpyrrolidin-2-one?

1-octylpyrrolidin-2-one is classified as ADR Class 8 (corrosive substances), Packing Group II, indicating significant transport restrictions. It must be packaged in UN-approved containers with appropriate hazard labels and documentation. Only trained personnel should handle shipments, and emergency response information must accompany all transport. Special vehicle requirements and routing restrictions may apply depending on quantity and destination.

Is 1-octylpyrrolidin-2-one subject to specific regulations?

1-octylpyrrolidin-2-one is subject to REACH registration requirements for European market access and must comply with CLP classification as Skin Corr. 1B and Aquatic Chronic 2. While not currently listed as an SVHC substance, it requires safety data sheets and proper hazard communication. Users must implement appropriate risk management measures and may need to notify authorities depending on usage quantities and applications.

Where to buy 1-octylpyrrolidin-2-one in Europe?

1-octylpyrrolidin-2-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides comprehensive support including safety data sheets, regulatory compliance documentation, and technical guidance for safe handling. As a corrosive substance requiring specialized handling, it's essential to work with experienced suppliers who understand the regulatory requirements and safety protocols for this chemical.

Data Sources

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