1-Hexyl-2-pyrrolidinone

Basic Information

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CAS Number

4838-65-7

Molecular Formula

C10H19NO

Molecular Weight

169.27 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

Basic Physical Properties

Melting Point

4 ºC

Boiling Point

278 ºC

Flash Point

116 ºC

Refractive Index

1.4630

SMILES

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CCCCCCN1CCCC1=O

InChI

InChI=1S/C10H19NO/c1-2-3-4-5-8-11-9-6-7-10(11)12/h2-9H2,1H3

InChIKey

BAWUFGWWCWMUNU-UHFFFAOYSA-N

LogP

2.1891

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

145

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

NS00031792
N-Hexyl-2-pyrrolidinone
AKOS006277039
4838-65-7
1-hexylpyrrolidin-2-one;N-HEXYL-2-PYRROLIDINONE
1-hexylpyrrolidin-2-one
MFCD01310443
BRN 1525259
AS-38852
1-Hexyl-2-pyrrolidone
SCHEMBL297237
FT-0691073
AB08436
CS-0172234
A827526
1-hexyl-pyrrolidin-2-one
2-Pyrrolidinone, 1-hexyl-
DTXSID40197504
N-HEXYL pyrrolidone
1-hexyl-2-pyrrolidinon
1-HEXYL-PYRROLIDIN-2-ONE
1-HEXYLPYRROLIDONE-2
N-HEXYL-2-PYRROLIDINONE
N-HEXYLPYRROLIDONE-2
N-Hexyl-2-pyrrolidone
1-Hexyl-2-Pyrrolidone
1-hexyl-2-pyrrolidinone
1-n-hexylazacyclopentan-2-one
2-Pyrrolidinone,1-hexyl

MDL Number

MFCD01310443

Customs Code

2933790090

FAQ

What regulatory guidelines apply to 1-Hexyl-2-pyrrolidinone (CAS: 4838-65-7)?

1-Hexyl-2-pyrrolidinone (CAS: 4838-65-7) falls under the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) and is classified as a category 3 skin corrosive. It is subject to REACH regulations in the European Union, requiring manufacturers and importers to register substances above 1 tonne per year. FDA and EPA may also have specific guidelines for its handling and use in the context of pharmaceuticals and environmental releases.

Are there alternatives to 1-Hexyl-2-pyrrolidinone (CAS: 4838-65-7) in synthesis?

Alternatives to 1-Hexyl-2-pyrrolidinone include other pyrrolidinones like 2-Methyl-1-pyrrolidinone (NMP) and 2-Pyrrolidinone. Isomers of 1-Hexyl-2-pyrrolidinone may also be considered. Common synthetic alternatives include 2-Pyrrolidone and related cyclic imides, which can serve similar functions in certain applications.

What is the market or research trend for 1-Hexyl-2-pyrrolidinone (CAS: 4838-65-7)?

The market for 1-Hexyl-2-pyrrolidinone (CAS: 4838-65-7) is growing due to its use as a solvent in pharmaceuticals and cosmetics. Research trends focus on its application in drug solubilization and as a co-solvent in polymer synthesis. Emerging research is exploring its use in renewable energy applications as a potential electrolyte component.

How should waste containing 1-Hexyl-2-pyrrolidinone (CAS: 4838-65-7) be handled?

Waste containing 1-Hexyl-2-pyrrolidinone (CAS: 4838-65-7) should be collected in appropriate containers and stored according to the guidelines set by local environmental regulations. Disposal should be handled by a professional waste disposal service, as it may require specific treatment methods to minimize environmental impact. Incineration is a common method for disposal, provided it is done in a manner that complies with environmental regulations.