1-octylpyrrolidin-2-one

C12H23NO

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

Consulting for 1-octylpyrrolidin-2-one

Our experts support you with application, dosage, and compliance.

Request Consultation

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 nitrogen-containing heterocyclic compound with potent solvent properties and significant dermal penetration enhancement capabilities. This specialized chemical compound, also known by its IUPAC designation 1-octylpyrrolidin-2-one, represents an important member of the N-alkylpyrrolidinone family. With a molecular formula of C12H23NO and molecular weight of 197.32 g/mol, this substance combines the cyclic structure of pyrrolidinone with an octyl chain, resulting in unique physicochemical properties that make it valuable across various industrial applications. The compound exhibits notable safety considerations, classified under the GHS system with pictograms GHS05 and GHS09, indicating both corrosive properties to skin (Skin Corr. 1B) and environmental hazards (Aquatic Chronic 2). The "Danger" signal word emphasizes the need for proper handling protocols and protective equipment during use. Its ADR classification as Class 8 reflects its corrosive nature during transportation and storage. In industrial applications, 1-octylpyrrolidin-2-one serves primarily as a penetration enhancer in pharmaceutical formulations, facilitating improved drug delivery through biological membranes. It also functions as an effective solvent for various organic compounds and finds use in specialty chemical synthesis processes. Unlike simpler compounds such as 2-butan-2-yl-4-tert-butylphenol, this pyrrolidinone derivative offers enhanced solubilization properties due to its amphiphilic structure. The compound's European registration under EC number 403-700-8 ensures regulatory compliance for commercial use across EU markets. OYSI maintains reliable supply chains for 1-octylpyrrolidin-2-one, supporting customers in pharmaceutical, chemical manufacturing, and research sectors throughout Europe.

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 an organic chemical compound with the molecular formula C12H23NO and CAS number 2687-94-7. It belongs to the pyrrolidinone family, featuring a five-membered lactam ring with an eight-carbon alkyl chain attached. With a molecular weight of 197.32 g/mol, this compound is classified as a skin corrosive substance and poses environmental hazards to aquatic life.

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

1-octylpyrrolidin-2-one is a liquid organic compound at room temperature with moderate viscosity due to its long alkyl chain. The substance exhibits typical properties of N-alkylated lactams, including good solubility in organic solvents and limited water solubility. Its amphiphilic nature, combining the polar lactam group with the hydrophobic octyl chain, gives it surfactant-like properties and makes it useful in various industrial applications.

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

1-octylpyrrolidin-2-one is primarily used as a solvent and penetration enhancer in pharmaceutical and cosmetic formulations. Its excellent skin penetration properties make it valuable in transdermal drug delivery systems and topical preparations. The compound also serves as a chemical intermediate in organic synthesis and finds applications in specialty chemical formulations where its unique solvent properties and skin compatibility are required.

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

1-octylpyrrolidin-2-one must be handled with extreme caution due to its skin corrosive properties (Skin Corr. 1B). Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods. Avoid direct contact with skin, eyes, and clothing. Emergency shower and eyewash stations should be readily accessible when handling this corrosive substance.

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, and well-ventilated area away from incompatible materials. Keep containers away from heat sources, direct sunlight, and ignition sources. Storage areas should be equipped with appropriate spill containment measures due to the substance's corrosive nature and potential environmental impact. Regular container inspections are recommended to prevent leaks.

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. In case of skin contact, immediately remove contaminated clothing and rinse affected area with copious amounts of water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. Seek immediate medical attention in all cases of contact. Do not neutralize with chemicals.

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

1-octylpyrrolidin-2-one must be disposed of as hazardous waste according to local and national regulations. The substance cannot be disposed of in regular waste streams due to its corrosive properties and environmental classification (Aquatic Chronic 2). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Ensure proper labeling and documentation throughout the disposal process to maintain regulatory compliance.

How to transport 1-octylpyrrolidin-2-one?

1-octylpyrrolidin-2-one is classified under ADR as Class 8 (corrosive substances), Packing Group II, indicating moderate danger during transport. The substance requires appropriate corrosive-resistant packaging and proper hazard labeling during shipment. Transportation must comply with ADR regulations for corrosive materials, including specific packaging instructions, vehicle requirements, and driver training. Only authorized carriers experienced in handling corrosive chemicals should transport this substance.

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

1-octylpyrrolidin-2-one is subject to standard chemical regulations including REACH registration and CLP classification requirements in Europe. The substance is classified as Skin Corr. 1B and Aquatic Chronic 2, requiring appropriate hazard communication and safety measures. While not currently listed as a Substance of Very High Concern (SVHC), users must comply with occupational safety regulations and environmental protection measures when handling this corrosive chemical.

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 this corrosive substance to qualified industrial and research customers with proper handling capabilities. Due to the hazardous nature of this chemical, purchases typically require verification of appropriate safety measures and handling expertise. Contact OYSI directly for availability, technical specifications, and regulatory documentation for your specific application requirements.

Data Sources

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