Butylethanolamine (HCID 8132)

Überblick

structure given in first source; RN given refers to parent cpd

Namen und Bezeichner

Bevorzugter Name: Butylethanolamine
IUPAC: 2-(butylamino)ethanol
Lokaler Name: 2-(Butylamino)ethanol
Englischer Name: 2-(Butylamino)ethanol
Summenformel: C6H15NO
Molmasse: 117.19

Namen und Synonyme

111-75-12-ButylaminoethanolN-ButylethanolamineEthanol, 2-(butylamino)-ButylethanolamineButylmonoethanolamine2-(N-Butylamino)ethanol2-(N-Monobutylamino)ethanol3IBO99KPV6SYNERGEXNSC-1098DTXSID9059410

Weitere Namen anzeigen

BMEAceshiceshisbutylethanalamineButhylethanolamine2-butylamino-ethano

RefChem:461526DTXCID5033206203-904-52-(Butylamino)ethanoln-ButylaminoethanolN-Butyl monoethanolamine2-(butylamino)ethan-1-olN-n-Butylethanolamine

Datenbank-Bezeichner

CAS: 111-75-1
PubChem CID: 8132
DTXSID: DTXSID9059410
UNII: 3IBO99KPV6
EC Number: 203-904-5
Nikkaji: J78.142H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 8
Formalladung: 0
Komplexität: 39,5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Ethanolamines

SpringerMaterials PropertiesOptical coefficient

Physical Description · 2 Einträge

Liquid

Clear colorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 28.94 °C · 28.94°C (estimate)
Siedepunkt: 198 · 198-200 °C(lit.)
Dichte: 0.891 g/mL · 0.891 g/mL at 25 °C(lit.)
Dampfdruck: 13.94 Pa · 13.94Pa at 20℃
Brechungsindex: 20 · n20/D 1.444(lit.)
Flammpunkt: 170 °F · 170 °F
storage temp.: 2 · 2-8°C
Löslichkeit: 1000 g/l · 1000g/l
Aggregatzustand: clear liquid
pka: 14.81 · 14.81±0.10(Predicted)
Farbe: Colorless to Almost colorless
Wichte: 0.893 · 0.893
PH: 11.9 · 11.9 (100g/l, H2O, 20℃)
Biologische Quelle: goat
Explosionsgrenze: 1.5 · 1.5-8.6%(V)
Wasserlöslichkeit: 1000 g/L · 1000g/L at 20℃
BRN: 1732522 · 1732522
Kosmetik-Inhaltsstoffe Funktionen: BUFFERING
InChI: 1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
InChIKey: LJDSTRZHPWMDPG-UHFFFAOYSA-N
SMILES: CCCCNCCO
LogP: 0.64 at · 0.64 at 25℃
CAS Datenbank: 111 · 111-75-1(CAS DataBase Reference)
EPA chemische Informationen: 2 · Ethanol, 2-(butylamino)- (111-75-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (85.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 859 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Ethanol, 2-(butylamino)-

Ethanol, 2-(butylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(butylamino)- 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: 04-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5529

2-Butylamino-ethanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion; [Sigma-Aldrich MSDS] See Ethanolamine.

Hazard Classes and CategoriesAcute Tox. 4 (85.3%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29221990
RTECS-Nr.: KK0175000
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <5,000,000 lb

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

Ethanol, 2-(butylamino)-: ACTIVE

Anwendungen · 2 Einträge

Beschreibung2-(butylamino)ethanol (BAE) is a secondary amine and has steric hindrance with a strong tendency to form bicarbonate on reaction with CO2. As a result, equilibrium CO2 loading can exceed 0.5 mol CO2/mol amine, resulting in higher cyclic capacity than conventional MEA. BAE's hydrophobicity is very high and highly soluble with most amines and ethers. The advantages of preferring BAE over traditional 2-amino-2-methyl-1-propanol (AMP) are that BAE does not produce solid precipitation on CO2 loading, CO2 absorption and reaction rate of BAE is higher than AMP, it can be regenerated at low temperature, low heat of CO2 absorption and BAE is cheaper than AMP[1].

Verwenden2-(Butylamino)ethanol (N-Butylethanolamine) may be employed for the synthesis of 4-alkylamino-2,5,6-trimethyl -7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidines and N-butyl-N-(2-nitroxyethyl)nitramine (BuNENA).