1-Pyrrolidineethanol (HCID 76288)

Overview

Epolamine is a member of pyrrolidines. It is a conjugate base of a 1-(2-hydroxyethyl)pyrrolidinium.

Names & identifiers

Preferred name: 1-Pyrrolidineethanol
IUPAC: 2-pyrrolidin-1-ylethanol
English name: N-(2-Hydroxyethyl)pyrrolidine
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

2955-88-6N-(2-Hydroxyethyl)pyrrolidine1-PyrrolidineethanolEpolamine2-(pyrrolidin-1-yl)ethanol1-(2-Hydroxyethyl)pyrrolidine2-PyrrolidinoethanolR3D835XVCRNSC-26883CHEBI:48293DTXSID70183733RefChem:137317

Show more names

AKOS MSC-07491-PYRROLIDINOETHANOL2-PyrrolizinoethanolN-HydroxypyrrolidinePyrrolidine-1-ethanol2-Pyrrolidinoethanol99%

DTXCID10106224N-(2-hydroxyethyl)-2,5-(14C)-pyrrolidine220-976-32-Pyrrolidin-1-ylethanolPyrrolidinoethanol2-(pyrrolidin-1-yl)ethan-1-ol2-(1-Pyrrolidinyl)ethanolHydroxyethylpyrrolidine

Database identifiers

CAS: 2955-88-6
PubChem CID: 76288
DTXSID: DTXSID70183733
ChEMBL: CHEMBL122581
ChEBI: CHEBI:48293
UNII: R3D835XVCR
EC Number: 220-976-3
Nikkaji: J150.838E

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 59.5

Physicochemical properties

Melting point: 205 °C · 205 °C (decomp)
Boiling point: 79 · 79-81 °C/13 mmHg (lit.)
Density: 0.985 g/mL · 0.985 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.473
Flash point: 133 °F · 133 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 14.74 · 14.74±0.10(Predicted)
form: Liquid
color: Clear slightly yellow to brown
Water Solubility: Partly soluble in water. Soluble in alcohol, ether, benzene.
BRN: 102976 · 102976
InChI: InChI=1S/C6H13NO/c8-6-5-7-3-1-2-4-7/h8H,1-6H2
InChIKey: XBRDBODLCHKXHI-UHFFFAOYSA-N
SMILES: N1(CCO)CCCC1
CAS DataBase Reference: 2955 · 2955-88-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 D835XVCR · R3D835XVCR
NIST Chemistry Reference: N-«beta»-Hydroxyethylpyrrolidine(2955-88-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P241-P280a-P501a
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements: 10 · 10
Safety Statements: 23 · 23-24/25
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
RTECS: 1175000 · UY1175000
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29339900 · 29339900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 06-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19816

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: UY1175000
ridadr: UN 1993 3/PG 3
hs_code: 29339900
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
safety_code: 23-24/25
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P241-P280a-P501a

Chemistry & industry

Applications

UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs and is also used in medicine.