CAS 15438-71-8 2-Pyrrolidinone, 1-(hydroxymethyl)- (HCID 84911)

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Basic information

CAS: 15438-71-8
Standard SMILES: O=C1CCCN1CO
InChIKey: PJEXUIKBGBSHBS-UHFFFAOYSA-N
Molecular formula: C5H9NO2
Average molar mass: 115.13 g/mol
Monoisotopic mass: 115.06332853

Names & identifiers

Preferred name: 2-Pyrrolidinone, 1-(hydroxymethyl)-
IUPAC: 1-(hydroxymethyl)pyrrolidin-2-one
English name: (Hydroxymethyl)-2-pyrrolidinone
Molecular formula: C5H9NO2
Molecular weight: 115.13

Names & synonyms

1-(Hydroxymethyl)pyrrolidin-2-one15438-71-8N-MethylolpyrrolidoneN-Methylol-2-pyrrolidoneN-Methylolpyrrolidinone2-Pyrrolidinone, 1-(hydroxymethyl)-1-Hydroxymethyl-2-pyrrolidinoneN-Methylol-2-pyrrolidinoneN-(Hydroxymethyl)-2-pyrrolidone1-(Hydroxymethyl)-2-pyrrolidoneN-(Hydroxymethyl)-2-pyrrolidinoneXK7MB95ZPN

Show more names

IFLAB-BB F0861-0038METHYLOLPYRROLIDONEN-HYDROXYMETHYL PYRROLIDONE1-Hydroxymethyl-2-pyrrolidone(Hydroxymethyl)-2-pyrrolidinone

1-(Hydroxymethyl)-2-pyrrolidinoneEINECS 239-451-5NSC 84227NSC-84227AI3-28014DTXSID7065887RefChem:483476DTXCID6034972

Database identifiers

CAS: 15438-71-8
PubChem CID: 84911
DTXSID: DTXSID7065887
UNII: XK7MB95ZPN
EC Number: 239-451-5
Nikkaji: J45.989E

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 103

Physicochemical properties

Melting point: 77 · 77-79.5 °C
Boiling point: 185 · 185-188 °C(Press: 4 Torr)
Density: 1.213 · 1.213±0.06 g/cm3(Predicted)
pka: 13.41 · 13.41±0.10(Predicted)
CAS DataBase Reference: 15438 · 15438-71-8(CAS DataBase Reference)
FDA UNII: 7 MB95ZPN · XK7MB95ZPN
EPA Substance Registry System: 2 · 2-Pyrrolidinone, 1-(hydroxymethyl)- (15438-71-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2A (100%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Pyrrolidinone, 1-(hydroxymethyl)-: ACTIVE

Applications · 1 item

Uses1-(hydroxymethyl)pyrrolidone-2-one can be used as a pharmaceutical synthesis intermediate. If 1-(hydroxymethyl)pyrrolidone-2-one is inhaled, move the patient to fresh air; if skin contact occurs, remove contaminated clothing and thoroughly wash the skin with soap and water. If discomfort persists, seek medical attention.