1-octylazepan-2-one

C14H27NO

CAS59227-88-2
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
59227-88-2
EC Number
420-040-6
UN Number
3265
Index Number
606-078-00-8
PubChem CID
2754067

Physical-chemical properties

Molecular Formula
C14H27NO
Molar Mass
225.37 g/mol
IUPAC Name
1-octylazepan-2-one

Chemical Identifiers

InChI
InChI=1S/C14H27NO/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14(15)16/h2-13H2,1H3
InChI Key
VKAMZEDHHWTTNZ-UHFFFAOYSA-N

Overview

1-octylazepan-2-one (CAS 59227-88-2) is a nitrogen-containing heterocyclic compound with significant industrial solvent and penetration enhancement properties. This specialized chemical compound belongs to the azepanone family, characterized by its seven-membered lactam ring structure with an octyl substituent. With the molecular formula C14H27NO and a molecular weight of 225.37 g/mol, 1-octylazepan-2-one combines the cyclic amide functionality of azepanones with the hydrophobic characteristics imparted by its long alkyl chain. The compound is also known by its EC number 420-040-6 and presents specific handling considerations due to its corrosive and sensitizing properties. The substance exhibits notable solvent properties and membrane penetration capabilities, making it valuable in various industrial formulations. Its amphiphilic nature, resulting from the polar lactam head group and the nonpolar octyl tail, enables effective interaction with both hydrophilic and lipophilic substances. This structural feature distinguishes it from related compounds such as N-cyclohexylcyclohexanamine, which lacks the heterocyclic functionality, though both compounds find applications in specialty chemical formulations. Safety considerations are paramount when handling 1-octylazepan-2-one, as it is classified under GHS pictograms GHS05, GHS07, and GHS09, indicating corrosive, harmful, and environmentally hazardous properties respectively. The compound requires careful storage and handling protocols in accordance with ADR Class 8 transportation regulations. Primary industrial applications include its use as a penetration enhancer in pharmaceutical and cosmetic formulations, as a specialized solvent in chemical processing, and as an intermediate in the synthesis of advanced materials. Similar to other specialty amines like 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione, it serves critical functions in niche chemical applications. OYSI maintains reliable supply chains for 1-octylazepan-2-one to support European industrial customers' technical requirements.

Safety & Classification

Danger
Classification:

Skin Corr. 1B; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H314

Causes severe skin burns and eye damage.

H317

May cause an allergic skin reaction.

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 Number3265
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name1-Octylazepin-2-on
Marine PollutantNo

Frequently Asked Questions

What is 1-octylazepan-2-one?

1-octylazepan-2-one is an organic chemical compound with the molecular formula C14H27NO and a molecular weight of 225.37 g/mol. It belongs to the azepanone family, characterized by a seven-membered lactam ring with an octyl substituent. This substance is classified as hazardous with corrosive and sensitizing properties, requiring careful handling in industrial applications.

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

1-octylazepan-2-one is a nitrogen-containing organic compound with a molecular formula C14H27NO and molecular weight of 225.37 g/mol. As a lactam derivative, it typically appears as a liquid or solid depending on temperature conditions. The presence of both hydrophobic octyl chain and polar lactam group influences its solubility characteristics and chemical reactivity.

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

1-octylazepan-2-one serves as a chemical intermediate in organic synthesis and industrial processes. Its lactam structure makes it valuable for polymer chemistry, pharmaceutical intermediates, and specialty chemical manufacturing. The compound may also function as a solvent or processing aid in specific industrial applications requiring its unique chemical properties.

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

Safe handling of 1-octylazepan-2-one requires appropriate personal protective equipment due to its Skin Corr. 1B and Skin Sens. 1 classifications. Wear chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction. Avoid skin and eye contact completely. Have emergency eyewash and shower facilities readily available during handling operations.

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

Proper storage of 1-octylazepan-2-one involves keeping it in tightly sealed containers away from heat, ignition sources, and incompatible materials. Store in a cool, dry, well-ventilated area with appropriate secondary containment. Due to its corrosive nature, use chemically compatible storage materials and ensure proper labeling with GHS pictograms GHS05, GHS07, and GHS09.

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

Immediate action is required for contact with 1-octylazepan-2-one due to its corrosive properties. For skin contact, immediately flush with plenty of water for at least 15 minutes and remove contaminated clothing. For eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air. Always consult a physician after any exposure incident.

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

Disposal of 1-octylazepan-2-one must comply with local and national hazardous waste regulations due to its classification as corrosive and environmentally hazardous (Aquatic Chronic 2). Contact licensed hazardous waste disposal companies for proper treatment. Never dispose of in regular waste streams, sewers, or waterways. Maintain proper waste documentation and follow all applicable environmental protection requirements.

How to transport 1-octylazepan-2-one?

Transportation of 1-octylazepan-2-one follows ADR Class 8 (corrosive substances) regulations with Packing Group II classification. Use appropriate packaging meeting UN specifications for corrosive liquids. Vehicles must carry proper placarding and documentation. Transport personnel require ADR certification for dangerous goods. Ensure emergency response information accompanies shipments and follow all modal transport regulations.

Is 1-octylazepan-2-one subject to special regulations?

1-octylazepan-2-one is subject to European REACH and CLP regulations requiring proper classification, labeling, and safety data sheets. While not currently listed as an SVHC substance, it requires hazard communication with Danger signal word and specific GHS pictograms. Users must comply with occupational exposure limits and environmental protection measures due to its aquatic toxicity classification.

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

1-octylazepan-2-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with full regulatory compliance, proper documentation, and technical support. As an established chemical distributor, OYSI ensures quality standards and reliable supply chain management for industrial customers across Europe requiring this specialized chemical intermediate.

Data Sources

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