1-(3-Hydroxypropyl)pyrrolidin-2-one

HCID 566744

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Basic information

CAS: 62012-15-1
Standard SMILES: O=C1CCCN1CCCO
InChIKey: CVDGNRZPDAXOQO-UHFFFAOYSA-N
Molecular formula: C7H13NO2
Average molar mass: 143.18 g/mol
Monoisotopic mass: 143.09462866

Names & identifiers

Preferred name: 1-(3-Hydroxypropyl)pyrrolidin-2-one
IUPAC: 1-(3-hydroxypropyl)pyrrolidin-2-one
English name: 1-(3-Hydroxypropyl)-2-pyrrolidone
Molecular formula: C7H13NO2
Molecular weight: 143.18

Names & synonyms

1-(3-Hydroxypropyl)pyrrolidin-2-one62012-15-11-(3-Hydroxypropyl)-2-pyrrolidinoneEINECS 263-373-0DTXSID30211066RefChem:423910DTXCID30133557263-373-01-(3-Hydroxypropyl)-2-pyrrolidoneN-(3-Hydroxypropyl)-2-pyrrolidoneMFCD00059014ETN8F3SB4R

Show more names

1-Pyrrolidino-3-propanolN-(2-Hydropropyl)-2-pyrrolidone3-(2-Oxopyrrolidin-1-yl)propanol1-(3-Hydroxypropyl)-2-pyrrolidineone1-(3-Hydroxy-1-propyl)-2-pyrrolidone1-(3-Hydroxypropyl)-2-pyrrolidone>

UNII-ETN8F3SB4R2-Pyrrolidinone, 1-(3-hydroxypropyl)-SCHEMBL312170AKOS0091593511-(3-Hydroxypropyl)-2-pyrrolidinone #SY051340H0541Hydroxypropylpyrrolidone

Database identifiers

CAS: 62012-15-1
PubChem CID: 566744
DTXSID: DTXSID30211066
UNII: ETN8F3SB4R
EC Number: 263-373-0
Nikkaji: J151.124F

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 125

Physicochemical properties

Boiling point: 140 °C · 140 °C / 1mmHg
Density: 1 · 1,1 g/cm3
refractive index: 1.491 to · 1.4910 to 1.4940
storage temp.: 2 · Storage temp. 2-8°C
pka: 14.92 · 14.92±0.10(Predicted)
form: clear liquid
color: Light yellow to Yellow to Orange
FDA UNII: 8 F3SB4R · ETN8F3SB4R
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-51-36
Safety Statements: 26 · 26-36/37/39
HS Code: 2933.79 · 2933.79.8500

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

hs_code: 2933.79.8500
risk_code: 36/37/38-51-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313