Grundinformationen
- Standard-SMILES
OCCN1CCNCC1- InChIKey
WFCSWCVEJLETKA-UHFFFAOYSA-N- Summenformel
- C6H14N2O
- Durchschnittliche Molmasse
- 130,19 g/mol
- Monoisotopische Masse
- 130,11061307
Namen und Bezeichner
- Bevorzugter Name
- 1-(2-Hydroxyethyl)piperazine
- IUPAC
- 2-piperazin-1-ylethanol
- Lokaler Name
- 2-Piperazin-1-ylethanol
- Englischer Name
- 1-(2-Hydroxyethyl)piperazine
- Summenformel
- C6H14N2O
- Molmasse
- 130.19
Namen und Synonyme
N-(2-Hydroxyethyl)piperazine103-76-41-(2-Hydroxyethyl)piperazine1-PIPERAZINEETHANOL2-Piperazin-1-ylethanol2-PiperazinoethanolHydroxyethylpiperazine2-(1-Piperazinyl)ethanol1-Piperazinethanol2-HydroxyethylpiperazineUSAF DO-222-(piperazin-1-yl)ethanol
Weitere Namen anzeigen
2-(Piperazin-1-yl)ethan-1-olN-HYDROXYETHYLPIPERAZINE2-PIPERAZIN-1-YL-ETHANOLHydroxyethylPiperazine /1-PiperazineethanolNSC 60706NSC 38969
4-(2-Hydroxyethyl)piperazineEthanol, 2-(1-piperazinyl)-N-(beta-Hydroxyethyl)piperazine1-(beta-Hydroxyethyl)piperazineNSC 26884CCRIS 6687DTXSID3021853G7VXS31ZFP
Datenbank-Bezeichner
- CAS
103-76-4- PubChem CID
- 7677
- DTXSID
DTXSID3021853- ChEMBL
CHEMBL3183736- UNII
- G7VXS31ZFP
- EC Number
- 203-142-3
- Nikkaji
- J76.692E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 71
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
Light yellow liquid; [Aldrich MSDS]
Kovats Retention Index1948；1985
Collision Cross Section125.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3021853]；124.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3021853]
Physikochemische Eigenschaften
- Schmelzpunkt
- -38.5 °C · -38.5 °C
- Siedepunkt
- 246 °C · 246 °C(lit.)
- Dichte
- 1.061 g/mL · 1.061 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.007 hPa · 0.007 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.506(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oily Liquid
- pka
- 14.96 · 14.96±0.10(Predicted)
- Farbe
- Clear colorless to pale yellow
- Wichte
- 1.06 · 1.060
- PH
- 12.3 · 12.3 (100g/l, H2O, 20℃)
- Explosionsgrenze
- 1.4 · 1.4-8.9%(V)
- Wasserlöslichkeit
- MISCIBLE
- BRN
- 104361 · 104361
- Henry's Law Constant
- 2.9 · 2.9×103 mol/(m3Pa) at 25℃, Nguyen (2013)
- InChI
- 1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
- InChIKey
- WFCSWCVEJLETKA-UHFFFAOYSA-N
- SMILES
- OCCN1CCNCC1
- LogP
- -1.47 at · -1.47 at 25℃
- CAS Datenbank
- 103 · 103-76-4(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Piperazineethanol(103-76-4)
- EPA chemische Informationen
- 1 · 1-Piperazineethanol (103-76-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (76.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (18.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (19.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 260 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Piperazineethanol
1-Piperazineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanol 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)
Status: Active Update: 06-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19699；Status: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21255
2-(1-Piperazinyl) ethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A moderate eye and mild skin irritant; Causes somnolence, muscle weakness, and muscle contraction or spasticity in oral lethal-dose studies of guinea pigs and rabbits; [RTECS] An irritant; Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals. [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (80%)；Eye Dam. 1 (76.5%)；Eye Irrit. 2 (18.8%)；STOT SE 3 (19.6%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Regulatorische Informationen
Regulatory Information
Chemical: 1-Piperazineethanol
1-Piperazineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanol 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)
Status: Active Update: 06-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19699；Status: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21255
2-(1-Piperazinyl) ethanol: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29335995
- RTECS-Nr.
- TL6825000
- risk_code
- 36/37/38-41-38
- Toxizität
- LD50 orally in Rabbit: 4000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/39-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2
- Selbstentzündungstemperatur
- 280 °C
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 700,000 - <850,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 400,000 - <550,000 lb；2020: 100,000 - <250,000 lb
Industry UsesOther；Solvent；Flotation agent；Intermediate；Absorbent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing；Petroleum Refineries；All Other Basic Organic Chemical Manufacturing；Mining (except Oil and Gas) and support activities
1-Piperazineethanol: ACTIVE
Anwendungen
Beschreibung1-(2-Hydroxyethyl)piperazine (HEP) is obtained during ethyleneamine production and used for corrosion inhibitors, pharmaceuticals, surfactants, and synthetic fibers.
Verwenden1-(2-Hydroxyethyl)piperazine is a hydroxyalkyl substituted pieprazine used in the preparation of pharmaceutical compounds such as neuroleptic agents.
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