1-Octyl-2-pyrrolidone

Basic Information

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CAS Number

2687-94-7

Molecular Formula

C12H23NO

Molecular Weight

197.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

-23°C

Boiling Point

172°C/15mmHg

Refractive Index

n20/D 1.465(lit.)

SMILES

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O=C1N(CCCCCCCC)CCC1

InChI

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

InChIKey

WPPOGHDFAVQKLN-UHFFFAOYSA-N

LogP

2.9693000000000014

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

168

Safety Information

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GHS Hazard Pictograms

H314

H411

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 8 Class 8

Synonyms & References

English

1-Octylpyrrolidin-2-one
N-ethyl pyrrolidone
1-OCTYL-2-PYRROLIDINONE
1-N-OCTYL-2-PYRROLIDONE
N-OCTYL PYRROLIDONE
N-OCTYL-2-PYRROLIDONE
1-octyl-2-pyrrolidinon
2-Pyrrolidinone,1-octyl-
N-(n-octyl)-2-pyrrolidinone
1-Octyl-2-pyrrolidone
1-n-octylazacyclopentan-2-one
1-octyl-pyrrolidone
2-Pyrrolidinone,1-octyl
caprylyl pyrrolidone
N-n-Octylpyrrolidone
N-octyl-2-pyrrolidinone
N-Octylpyrrolidinone
1-Octyl-2-pyrrolidinone
N-Octyl-2-pyrrolidone

MDL Number

MFCD00074965

Customs Code

2933790090

FAQ

What is 1-Octyl-2-pyrrolidone (CAS: 2687-94-7)?

1-Octyl-2-pyrrolidone is a synthetic organic compound with the chemical formula C11H21NO. It is a clear, colorless liquid with a faint, characteristic odor. The compound is known for its solubility in organic solvents and is commonly used as a solvent or intermediate in chemical synthesis. It has a relatively low boiling point and is miscible with water in limited amounts.

What are the main uses of 1-Octyl-2-pyrrolidone (CAS: 2687-94-7)?

1-Octyl-2-pyrrolidone is primarily used in the pharmaceutical industry as a solvent for drug formulations. It also finds applications in the production of coatings, adhesives, and polymers. In research settings, it serves as a valuable chemical building block for the synthesis of various derivatives. Additionally, it is used in some industrial processes involving solvation and chemical modification.

Is 1-Octyl-2-pyrrolidone (CAS: 2687-94-7) safe?

1-Octyl-2-pyrrolidone is generally considered safe when handled properly, but it should be treated with caution. It may cause mild irritation to the eyes, skin, or respiratory system upon exposure. Safety data sheets recommend wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It is not classified as highly toxic, but adherence to safety standards is essential to minimize risks.

How should 1-Octyl-2-pyrrolidone (CAS: 2687-94-7) be stored?

1-Octyl-2-pyrrolidone should be stored in a tightly sealed container in a cool, dry, and well-ventilated area. It is recommended to keep it away from direct light and heat sources to maintain stability. The storage temperature should be below 25°C, and humidity levels should be controlled to prevent degradation. Always store it in a location that is inaccessible to children and not in proximity to incompatible materials.