5-Methyl-2-pyrrolidone

HCID 66055CAS 108-27-0

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Basic information

Standard SMILES: CC1CCC(=O)N1
InChIKey: YVIVRJLWYJGJTJ-UHFFFAOYSA-N
Molecular formula: C5H9NO
Average molar mass: 99.13 g/mol
Monoisotopic mass: 99.06841391

Overview

Gamma-Valerolactam is a member of pyrrolidin-2-ones.

Names & identifiers

Preferred name: 5-Methyl-2-pyrrolidone
IUPAC: 5-methylpyrrolidin-2-one
English name: 5-METHYL-2-PYRROLIDONE
Molecular formula: C5H9NO
Molecular weight: 99.13

Names & synonyms

5-Methyl-2-pyrrolidone108-27-05-Methyl-2-pyrrolidinonegamma-Valerolactam2-Pyrrolidinone, 5-methyl-.gamma.-Valerolactam1X0OUE3QOBEINECS 203-566-9UNII-1X0OUE3QOBNSC 75833NSC-75833RefChem:103132

Show more names

4-Pentanelactam5-METHYLBUTYROLACTAM5-methyl-2-pyridineone5-Methyl-2-pyprrolidone5-Methyl-2-pyrrolizinone5-METHYL-2-PYRR0LIDIN0NE

2-Pyrrolidinone, 5-methyl-(8CI)2-Pyrrolidinone, 5-methyl-(8CI)(9CI)YVIVRJLWYJGJTJ-UHFFFAOYSA-N5-methylpyrrolidin-2-oneMFCD00005273NSC758335-methylpyrrolidinone5-methyl 2-pyrrolidinone

Database identifiers

CAS: 108-27-0
PubChem CID: 66055
DTXSID: DTXSID50870457
ChEBI: CHEBI:183240
UNII: 1X0OUE3QOB
EC Number: 203-566-9
Nikkaji: J5.071G

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 90.1

Experimental & physicochemical properties

LogP-0.1

Physicochemical properties

Melting point: 41 · 41-43 °C(lit.)
Boiling point: 248 °C · 248 °C(lit.)
Density: 1.0458 · 1.0458
refractive index: 1.4431 · 1.4431 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
pka: 16.68 · 16.68±0.40(Predicted)
form: powder to lump to clear liquid
color: White or Colorless to Light yellow
InChI: 1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey: YVIVRJLWYJGJTJ-UHFFFAOYSA-N
SMILES: CC1CCC(=O)N1
CAS DataBase Reference: 108 · 108-27-0
FDA UNII: 1 X0OUE3QOB · 1X0OUE3QOB
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 2933.79 · 2933.79.8500
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.