N-Piperidinoethanol (HCID 18232)

Überblick

2-(piperidin-1-yl)ethanol is a member of the class of piperidine in which the hydrogen attached to the nitrogen atom is substituted by a 2-hydroxyethyl group. It is a primary alcohol, a member of ethanolamines, a member of piperidines and a tertiary amino compound.

Namen und Bezeichner

Bevorzugter Name: N-Piperidinoethanol
IUPAC: 2-piperidin-1-ylethanol
Lokaler Name: 2-Piperidinoethanol
Englischer Name: 2-Piperidinoethanol
Summenformel: C7H15NO
Molmasse: 129.2

Namen und Synonyme

3040-44-62-Piperidinoethanol1-(2-Hydroxyethyl)piperidine1-PIPERIDINEETHANOLN-PiperidinoethanolN-Piperidineethanolbeta-Piperidinoethanol.beta.-PiperidinoethanolNSC 3460EINECS 221-244-6VR81F07RX51-Oxa-4-azaspiro(3.5)nonane (VAN)

Weitere Namen anzeigen

PPOHAKOS BBS-00004365PIPERIDINOETHANOLBUTTPARK 154\16-412-PIPERIDINETHANOLβ-Piperidylethanol

BRN 0103390AI3-11737NSC-34605-20-02-00101 (Beilstein Handbook Reference)DTXSID40628081-Oxa-4-azaspiro(3.5)nonane1-Oxa-4-azaspiro[3.5]nonaneRefChem:831031

Datenbank-Bezeichner

CAS: 3040-44-6
PubChem CID: 18232
DTXSID: DTXSID4062808
ChEMBL: CHEMBL118227
ChEBI: CHEBI:61238
UNII: VR81F07RX5
EC Number: 221-244-6
Nikkaji: J205.348I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 69,3

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: 16 °C · 16°C
Siedepunkt: 199 · 199-202 °C (lit.)
Dichte: 0.973 g/mL · 0.973 g/mL at 25 °C (lit.)
Dampfdruck: 1.3 hPa · 1.3 hPa @ 40°C
Brechungsindex: 20 · n20/D 1.4804(lit.)
Flammpunkt: 156 °F · 156 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Liquid
pka: 15 · 15.00±0.10(Predicted)
Wichte: 0.98 · 0.98
Farbe: Clear slightly brown
Explosionsgrenze: 1.2 · 1.2-7.2
BRN: 103390 · 103390
Henry's Law Constant: 5.1 · 5.1×101 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
InChIKey: KZTWONRVIPPDKH-UHFFFAOYSA-N
SMILES: OCCN1CCCCC1
LogP: 0.62 at · 0.62 at 25℃
CAS Datenbank: 3040 · 3040-44-6(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Piperidineethanol(3040-44-6)
EPA chemische Informationen: 1 · 1-Piperidineethanol (3040-44-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302+H312 (62.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 166 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H227: Combustible liquid [Warning Flammable liquids]

Gefahrenhinweise

Regulatory Information · 2 Einträge

1-Piperidineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperidineethanol 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: 30-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26699

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (100%)

Flammable liquids - Category 4

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN2735
hs_code: 29333999
RTECS-Nr.: TM8052000
risk_code: 22-36/37/38
Toxizität: cat,LDLo,oral,250mg/kg (250mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Journal of Pharmacology and Experimental Therapeutics. Vol. 55, Pg. 419, 1935.
hazard_code: Xn
safety_code: 36/37/39
hazard_class: 8
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 Oral
Selbstentzündungstemperatur: 240

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb

Industry UsespH regulating agent

General Manufacturing Information · 2 Einträge

Petroleum Lubricating Oil and Grease Manufacturing

1-Piperidineethanol: ACTIVE

Anwendungen

Verwenden1-Piperidineethanol (cas# 3040-44-6) is a compound useful in organic synthesis.

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of piperidine in which the hydrogen attached to the nitrogen atom is substituted by a 2-hydroxyethyl group.