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CAS No.: 616-45-5
Name: 2-Pyrrolidinone
Article Data: 255
Molecular Structure:
Molecular Structure of 616-45-5 (2-Pyrrolidinone)
Formula: C4H7NO
Molecular Weight: 85.1057
Synonyms: 2-Oxopyrrolidine;2-Pyrol;
EINECS: 210-483-1
Density: 1.047 g/cm3
Melting Point: 23-25 °C(lit.)
Boiling Point: 245 °C at 760 mmHg
Flash Point: 135.5 °C
Solubility: miscible with water
Appearance: clear colorless liquid or low melting solid
Risk Codes: 22
Safety: 24/25
Transport Information: UN 2810
PSA: 29.10000
LogP: 0.22520
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    Product description: Product name 2-Pyrrolidinone CAS number 616-45-5 Assay ≥99% Appearance Colorless crystal Capacity 200mt/year Application Organic Synthesis More

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Molecule structure of 2-Pyrrolidone (CAS NO.616-45-5):

IUPAC Name: Pyrrolidin-2-one
Molecular Formula: C4H7NO
Molecular Weight: 85.1
Melting Point: 23-25 °C(lit.)
Boiling Point: 245 °C(lit.)
Density: 1.12 g/mL at 25 °C(lit.)
Refractive Index:  n20/D 1.487(lit.)
Flash Point: >230 °F
Water Solubility:  miscible 
Molar Refractivity: 21.92 cm3
Molar Volume: 81.2 cm3
Surface Tension: 32.4 dyne/cm
XLogP3: -0.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Tautomer Count: 3
Exact Mass: 85.052764
MonoIsotopic Mass: 85.052764
Topological Polar Surface Area: 29.1
Heavy Atom Count: 6 
Canonical SMILES: C1CC(=O)NC1
InChI: InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
EINECS: 210-483-1 
Classification Code: Drug / Therapeutic Agent; Mutation data


 2-Pyrrolidone (CAS NO.616-45-5) is commonly used as raw materials for organic synthesis and solvents. It is used in industrial settings as a high-boiling non-corrosive polar solvent for a wide variety of applications. 
 2-Pyrrolidone is an intermediate in the manufacture of polymers such as polyvinylpyrrolidone and polypyrrolidone.

Toxicity Data With Reference


sln-smc 352,200 µmol/L

    EMMUEG    Environmental and Molecular Mutagenesis. 11 (1988),31.

orl-rat LD50:6500 mg/kg

    34ZIAG    Toxicology of Drugs and Chemicals Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,508.

scu-mus LDLo:10 g/kg

    AEXPBL    Archiv fuer Experimentelle Pathologie und Pharmakologie. 50 (1903),199.

orl-gpg LD50:6500 mg/kg

    34ZIAG    Toxicology of Drugs and Chemicals Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,508.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Risk Statements: 22 
R22:Harmful if swallowed.
Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.
RIDADR: 2810
WGK Germany: 1
RTECS: UY5715000
HazardClass: 6.1(b)
PackingGroup: III
Mildly toxic by ingestion and subcutaneous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.


 2-Pyrrolidone (CAS NO.616-45-5) is also named as 2-Ketopyrrolidine ; 2-Oxopyrrolidine ; 2-Pyrol ; 2-Pyrrolidinone ; 4-Aminobutyric acid lactam ; Butanoic acid, 4-amino-, lactam ; Butyrolactam ; HSDB 2652 ; LAM ; NSC 4593 ; NSC 8413 ; Pyrrolidon ; Pyrrolidon [German] ; Pyrrolidone ; alpha-Pyrrolidinone ; gamma-Aminobutyric acid lactam ; gamma-Aminobutyric lactam ; gamma-Aminobutyrolactam . 2-Pyrrolidone (CAS NO.616-45-5) is clear colorless liquid or low melting solid. It is miscible with a wide variety of other solvents including water, ethanol, diethyl ether, chloroform, benzene, ethyl acetate and carbon disulfide.