1-Benzyl-2-pyrrolidinone

Basic Information

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CAS Number

5291-77-0

Molecular Formula

C11H13NO

Molecular Weight

175.23 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

154 - 156

Boiling Point

76-78 ℃ at 760 mmHg

Water Solubility

Slightly soluble in water.

Refractive Index

n20/D 1.552(lit.)

SMILES

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C1CC(=O)N(C1)CC2=CC=CC=C2

InChI

InChI=1S/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2

InChIKey

LVUQCTGSDJLWCE-UHFFFAOYSA-N

LogP

1.809

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

185

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SCHEMBL180739
N-Benzylpyrrolidin-2-one
1-Benzyl-pyrrolidin-2-one
CS-W017444
N-BENZYLBUTYROLACTAM
NS00032613
1-benzyl-2-oxopyrrolidine
MFCD00003195
AKOS005169162
1-Benzyl-2-pyrrolidinone, 98%
SY019726
1-benzylpyrrolidone
HEPTYLTHIOCYANATE
EN300-82942
AB00299
1-(phenylmethyl)-2-pyrrolidinone
SMR000568394
2-Pyrrolidinone, 1-(phenylmethyl)-
EINECS 226-131-5
1-Benzylazacyclopentan-2-one
1-Benzyl-2-pyrrolidinone
FT-0635601
5291-77-0
CHEMBL388086
NSC-30184
InChI=1/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H
F14838
BDBM7816
DTXSID70200959
FS-2416
1-benzylpyrrolidin-2-one

MDL Number

MFCD00003195

Customs Code

2933790090

FAQ

What regulatory guidelines apply to 1-Benzyl-2-pyrrolidinone (CAS: 5291-77-0)?

1-Benzyl-2-pyrrolidinone (CAS: 5291-77-0) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for substances and mixtures, and FDA/EPA requirements for safety data sheets and environmental releases. This compound is classified as flammable and requires appropriate handling under hazardous materials regulations.

Are there alternatives to 1-Benzyl-2-pyrrolidinone in synthesis (CAS: 5291-77-0)?

Alternatives to 1-Benzyl-2-pyrrolidinone in synthesis include other pyrrolidinones, such as 2-pyrrolidinone, and derivatives like 1-phenyl-2-pyrrolidinone. Common substitutes include benzyl alcohol and benzylamine, which can serve similar functions in some synthetic pathways.

What is the market or research trend for 1-Benzyl-2-pyrrolidinone (CAS: 5291-77-0)?

Market trends indicate increasing research interest in 1-Benzyl-2-pyrrolidinone for its use in pharmaceuticals and personal care products. Studies are exploring its potential as a flavor and fragrance component, and as a raw material in the synthesis of other compounds. The demand is growing, driven by its unique properties and expanding applications.

How should waste containing 1-Benzyl-2-pyrrolidinone (CAS: 5291-77-0) be handled?

Waste containing 1-Benzyl-2-pyrrolidinone should be collected in proper containers, labeled with the correct hazard information. It should be disposed of through a professional waste disposal service that follows the appropriate environmental regulations. Incineration or chemical treatment may be necessary to ensure complete degradation and minimize environmental impact.