N-Butyldiethanolamine

Base Information

• Chemical Name: N-Butyldiethanolamine
• CAS No.: 102-79-4
• Deprecated CAS: 1160183-80-1
• Molecular Formula: C8H19NO2
• Molecular Weight: 161.244
• Hs Code.: 29221980
• European Community (EC) Number: 203-055-0
• NSC Number: 60214
• UNII: H963NLD48W
• DSSTox Substance ID: DTXSID1044354
• Nikkaji Number: J5.515H
• Wikidata: Q27279790
• ChEMBL ID: CHEMBL3181802
• Mol file: 102-79-4.mol

Synonyms:N-Butyldiethanolamine;102-79-4;Butyldiethanolamine;Ethanol, 2,2'-(butylimino)bis-;BIDE;2,2'-(Butylimino)diethanol;2,2'-(Butylazanediyl)diethanol;2,2'-Butyliminodiethanol;N,N-Bis(2-hydroxyethyl)butylamine;2,2-(Butylimino)diethanol;Butylbis(2-hydroxyethyl)amine;N-Butyl-2,2'-iminodiethanol;N-Butyl-N,N-bis(hydroxyethyl)amine;2-[butyl(2-hydroxyethyl)amino]ethanol;Ethanol, 2,2'-(butylimino)di-;N-Butyl-N,N-bis(2-hydroxyethyl)amine;butyl diethanolamine;NSC 60214;2,2'-(Butylimino)bisethanol;Bis(beta-hydroxyethyl)butylamine;2-(N-Butyl-N-2-hydroxyethylamino)ethanol;EINECS 203-055-0;MFCD00002856;BRN 1739642;UNII-H963NLD48W;2,2/'-(Butylimino)diethanol;H963NLD48W;2,2'-(n-Butylimino)diethanol;DTXSID1044354;Bis(.beta.-hydroxyethyl)butylamine;NSC-60214;4-04-00-01520 (Beilstein Handbook Reference);N-n-Butyldiethanolamine;n-butyl diethanolamine;2-[butyl(2-hydroxyethyl)amino]ethan-1-ol;EXTENDEX 20;N-BUTYLIMINODIETHANOL;N-Butyldiethanolamine, 98%;SCHEMBL43801;Ethanol,2'-(butylimino)di-;Ethanol,2'-(butylimino)bis-;2,2''-(Butylimino)Diethanol;2,2-(Butylazanediyl)diethanol;2,2\'-(Butylimino)Diethanol;CHEMBL3181802;DTXCID9024354;2,2'-(Butylimino)bis[ethanol];WLN: Q2N4 & 2Q;2,2'-(Butylimino)diethanol 90%;BUTYL DIETHANOLAMINE [INCI];butyl-bis-(2-hydroxy-ethyl)-amine;N-Butyldiethanolamine, >=98.6%;ADAL1018307;NSC60214;Tox21_300813;AKOS009063816;2,2'-(N-BUTYLAMINO)DIETHANOL;CS-W014324;SB83837;3-BUTYL-3-AZA-1,5-PENTANEDIOL;NCGC00248180-01;NCGC00254717-01;CAS-102-79-4;LS-66547;SY011182;2-[butyl(2-hydroxyethyl)amino]-1-ethanol;B0725;FT-0731628;N-Butyldiethanolamine, purum, >=99.0% (GC);A896696;SR-01000388863;J-000801;SR-01000388863-1;Q27279790;2,2-(n-Butylimino)diethanol;N-Butyldiethanolamine,[2,2?(Butylamino)diethanol];Butylaminodiethanol;985;2,2-(n-Butylamino)diethanol

Chemical Property of N-Butyldiethanolamine

Chemical Property:

• Appearance/Colour: colourless to light yellow liquid
• Vapor Pressure: 1 mm Hg ( 25 °C)
• Melting Point: -70 °C(lit.)
• Refractive Index: n20/D 1.463(lit.)
• Boiling Point: 279.054 °C at 760 mmHg
• PKA: 14.41±0.10(Predicted)
• Flash Point: 126.667 °C
• PSA: 43.70000
• Density: 0.99 g/cm³
• LogP: 0.07310
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Water Solubility.: miscible
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 161.141578849
• Heavy Atom Count: 11
• Complexity: 72.5

Purity/Quality:

99.9% ^*data from raw suppliers

N-Butyldiethanolamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-37
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Ethanolamines
• Canonical SMILES: CCCCN(CCO)CCO
• Uses: N-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

Technology Process of N-Butyldiethanolamine

There total 6 articles about N-Butyldiethanolamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.4%

C8H18NO2 → n-butyldiethanolamine (102-79-4)

Guidance literature:

With hydrogen; In water; at 75 - 150 ℃; under 7500.75 - 30003 Torr; Reagent/catalyst; Autoclave;

Reference yield: 91.0%

1-bromo-butane (109-65-9) + 2,2'-iminobis[ethanol] (111-42-2) → n-butyldiethanolamine (102-79-4)

Guidance literature:

With potassium carbonate; for 72h; Reflux;

DOI:10.1039/c7dt01032j

Reference yield:

oxirane (75-21-8,99932-75-9) + N-butylamine (109-73-9,85404-21-3) → n-butyldiethanolamine (102-79-4)

Guidance literature:

With water;

upstream raw materials:

oxirane

N-butylamine

1-bromo-butane

2,2'-iminobis[ethanol]

Downstream raw materials:

butyl-tris-(2-hydroxy-ethyl)-ammonium; hydroxide

diptych-Boroxazilidin von N-Butyl-diaethanolamin

Refernces

• 1、 -. "High-yield industrial synthesis method N - n-butyl diethanol amine". Paragraph 0016-0020. . Retrieved 2021/09/29.
• 2、 Salvarese, Nicola,Refosco, Fiorenzo,Seraglia, Roberta,Roverso, Marco,Dolmella, Alessandro,Bolzati, Cristina. "Synthesis and characterization of rhenium(III) complexes with (Ph2PCH2CH2)2NR diphosphinoamine ligands". supporting information. p. 9180 - 9191. Retrieved 2017/07/24.