4,4-Dimethyl-2-pyrrolidinone

HCID 637593

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Basic information

CAS: 66899-02-3
Standard SMILES: CC1(C)CNC(=O)C1
InChIKey: HGVPKAGCVCGRDQ-UHFFFAOYSA-N
Molecular formula: C6H11NO
Average molar mass: 113.16 g/mol
Monoisotopic mass: 113.08406397

Names & identifiers

Preferred name: 4,4-Dimethyl-2-pyrrolidinone
IUPAC: 4,4-dimethylpyrrolidin-2-one
English name: 4,4-dimethyl-2-pyrrolidinone
Molecular formula: C6H11NO
Molecular weight: 113.16

Names & synonyms

4,4-Dimethyl-2-pyrrolidinone66899-02-3DTXSID70348461RefChem:507403DTXCID00299533800-716-04,4-dimethylpyrrolidin-2-one2-pyrrolidinone, 4,4-dimethyl-MFCD098644964,4-dimethyl-2-pyrrolidoneSCHEMBL2482854,4-dimethyl-pyrrolidin-2-one

Show more names

4,4-dimethylpyrrolidin4,4-Dimethyl-2-pyrrolidinone,95%

CS-M3328MB-0820SY0152354,4-dimethylpyrrolidine-2-one2-PYRROLIDONE,4,4-DIMETHYLA2304444-Dimethylpyrrolidin-2-oneSCHEMBL4815554

Database identifiers

CAS: 66899-02-3
PubChem CID: 637593
DTXSID: DTXSID70348461
EC Number: 800-716-0

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 38 · 38-40°
Boiling point: 150 · 150-155℃ (18 Torr)
Density: 0.945 · 0.945±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 16.7 · 16.70±0.40(Predicted)
form: Solid
color: White to cream
Water Solubility: Sparingly soluble in water.(0.26 g/L) (25°C),
Sensitive: Air Sensitive
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.