1,5-Dimethylpyrrolidin-2-one

HCID 101194

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Basic information

CAS: 5075-92-3
Standard SMILES: CC1CCC(=O)N1C
InChIKey: FILVIKOEJGORQS-UHFFFAOYSA-N
Molecular formula: C6H11NO
Average molar mass: 113.16 g/mol
Monoisotopic mass: 113.08406397

Names & identifiers

Preferred name: 1,5-Dimethylpyrrolidin-2-one
IUPAC: 1,5-dimethylpyrrolidin-2-one
English name: 1,5-Dimethyl-2-pyrrolidinone
Molecular formula: C6H11NO
Molecular weight: 113.16

Names & synonyms

1,5-Dimethylpyrrolidin-2-one2-Pyrrolidinone, 1,5-dimethyl-EINECS 225-783-8AI3-11312DTXSID60871112NSC 527837RefChem:417281DTXCID60818784225-783-81,5-Dimethyl-2-pyrrolidinone5075-92-3MFCD00003194

Show more names

1,5-Dimethyl-2-pyrrolizinone1,5-dimethyl-2-pyrolidineone5,N-Dimethyl-2-pyrrolidinone1,5-Dimethylpyrrolidine-2-one1 5-DIMETHYL-2-PYRROLIDINONE 95%

1,5-dimethyl-2-pyrrolidoneNSC527837SCHEMBL2621261,5-dimethyl-pyrrolidin-2-oneA8282831,5-Dimethyl-2-pyrrolidinone, 95%NSC-527837D86499

Database identifiers

CAS: 5075-92-3
PubChem CID: 101194
DTXSID: DTXSID60871112
EC Number: 225-783-8
Nikkaji: J203.280E

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 111

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

LogP-0.07

Physicochemical properties

Boiling point: 215 · 215-217 °C/743 mmHg (lit.)
Density: 0.982 g/mL · 0.982 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.465(lit.)
Flash point: 193 °F · 193 °F
pka: -0.35 · -0.35±0.40(Predicted)
form: liquid
InChI: InChI=1S/C6H11NO/c1-5-3-4-6(8)7(5)2/h5H,3-4H2,1-2H3
InChIKey: FILVIKOEJGORQS-UHFFFAOYSA-N
SMILES: N1(C)C(C)CCC1=O
EPA Substance Registry System: 2 · 2-Pyrrolidinone, 1,5-dimethyl- (5075-92-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · 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 · 26-36/37/39
WGK Germany: 3 · 3
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 53 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 1 item

2-Pyrrolidinone, 1,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesSkin Irrit. 2 (100%)