2,2'-Butyliminodiethanol
N-Butyldiethanolamine
Grundinformationen
- CAS
102-79-4- Standard-SMILES
CCCCN(CCO)CCO- InChIKey
GVNHOISKXMSMPX-UHFFFAOYSA-N- Summenformel
- C8H19NO2
- Durchschnittliche Molmasse
- 161,24 g/mol
- Monoisotopische Masse
- 161,14157885
Namen und Bezeichner
- Bevorzugter Name
- N-Butyldiethanolamine
- IUPAC
- 2-[butyl(2-hydroxyethyl)amino]ethanol
- Lokaler Name
- 2,2'-Butyliminodiethanol
- Englischer Name
- 2,2'-(Butylimino)diethanol
- Summenformel
- C8H19NO2
- Molmasse
- 161.24
Namen und Synonyme
N-Butyldiethanolamine102-79-4ButyldiethanolamineEthanol, 2,2'-(butylimino)bis-2,2'-(Butylimino)diethanolButylbis(2-hydroxyethyl)amine2,2'-ButyliminodiethanolN,N-Bis(2-hydroxyethyl)butylamineN-Butyl-2,2'-iminodiethanolN-Butyl-N,N-bis(hydroxyethyl)amineEthanol, 2,2'-(butylimino)di-N-Butyl-N,N-bis(2-hydroxyethyl)amine
Weitere Namen anzeigen
BIDEBDEATIMTEC-BBSBB00884ButyldiethanolaminTIMTEC-BB SBB008846Butlydiethanolamine2,2'-(Butylimino)diButylaminodiethanolButyliminodiethanol
butyl diethanolamine2,2'-(Butylimino)bisethanolNSC 60214Bis(beta-hydroxyethyl)butylamineDTXSID10443542-(N-Butyl-N-2-hydroxyethylamino)ethanolEINECS 203-055-0BRN 1739642
Datenbank-Bezeichner
- CAS
102-79-4- PubChem CID
- 7620
- DTXSID
DTXSID1044354- ChEMBL
CHEMBL3181802- UNII
- H963NLD48W
- EC Number
- 203-055-0
- Nikkaji
- J5.515H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 43,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 72,5
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Ethanolamines
SpringerMaterials PropertiesOptical coefficient
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
Colorless to pale yellow liquid with a mild odor; [Taminco MSDS]
Collision Cross Section136.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1044354]
Physikochemische Eigenschaften
- Schmelzpunkt
- -70 °C · -70 °C (lit.)
- Siedepunkt
- 273 · 273-275 °C/741 mmHg (lit.)
- Dichte
- 0.986 g/mL · 0.986 g/mL at 25 °C (lit.)
- Dampfdichte
- 5.5 · 5.5 (vs air)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H314 (20.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 310 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
Gefahrenhinweise
Regulatory Information
Chemical: Ethanol, 2,2'-(butylimino)bis-
Ethanol, 2,2'-(butylimino)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-(butylimino)bis- 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)
REACH registered substance: 2,2'-butyliminodiethanol (EC: 203-055-0)
Ethanol, 2,2'-(butylimino)bis-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanol, 2,2'-(butylimino)bis-: Environment tier I assessment
Hazards SummaryA mild skin irritant; Corrosive to eyes; No sensitization observed in experimental animals; [Taminco MSDS] See 2-N-Dibutylaminoethanol.
Hazard Classes and Categories
Skin Corr. 1B (20.6%)
Eye damage - category 1
Sicherheitsdaten
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as an additive; [Taminco MSDS]
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2,2'-(butylimino)bis-: ACTIVE
Anwendungen
VerwendenN-Butyldiethanolamine (H2bdea, N-n-butyldiethanolamine) has been used in the synthesis of the following complexes (Hdnba = 3,5-dinitrobenzoic acid, Hpta = p-toluic acid, H2tpa = terephthalic acid):new mononuclear [Cu(Hbdea)2]·2Hdnba , dinuclear [Cu2(μ-Hbdea)2(N3)2] and [Cu2(μ-Hbdea)2(pta)2]·2H2O1D polymeric [Cu2(μ-Hbdea)2(μ-tpa)]n·2nH2O copper(II) compoundstetranuclear 3d-4f single-molecule magnet (SMM) complexes
Zugehörige Reaktionen
3
Notizen zur Verbindung
Wird geladen…