2-[bis(2-hydroxyethyl)amino]ethan-1-ol

• ChemBase ID: 103569
• Molecular Formular: C6H15NO3
• Molecular Mass: 149.1882
• Monoisotopic Mass: 149.10519335
• SMILES: OCCN(CCO)CCO
• Canonical SMILES: OCCN(CCO)CCO
• InChI: InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
• InChIKey: GSEJCLTVZPLZKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[bis(2-hydroxyethyl)amino]ethan-1-ol
• IUPAC Traditional name: TEA; triethanolamine
• Synonyms: Daltogen; Nitrilo-2,2',2''-Triethanol; Sterolamide; Trihydroxytriethylamine; Tris(2-Hydroxyethyl) Amine; TRIETHANOLAMINE; Triethylolamine; 2,2',2"-Trihydroxy-triethylamine; Tris(2-hydroxyethyl)amine; Trolamine; TEA; TEOA; Triethanolamine; 2,2′,2′′-Nitrilotriethanol; 2,2',2''-Nitrilotriethanol; 2,2',2''-Nitrilotriethanol; 2,2′,2′′-次氮基三乙醇; 三(2-羟乙基)胺; 三乙醇胺

Database IDs

• CAS Number: 102-71-6
• EC Number: 203-049-8
• MDL Number: MFCD00002855
• Beilstein Number: 1699263
• Merck Index: 149665
• PubChem SID: 162090908; 24889339; 24849740; 24860470; 24900320; 24889340; 24850021
• PubChem CID: 7618
• CHEBI ID: 28621
• CHEMBL: 446061
• Chemspider ID: 13835630
• KEGG ID: D00215
• MeSH Name: Biafine
• Unique Ingredient Identifier: 9O3K93S3TK
• Wikipedia Title: Triethanolamine

CALCULATED PROPERTIES

• Acid pKa: 15.115809
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.7145576
• LogD (pH = 7.4): -2.9557004
• Log P: -1.8801366
• Molar Refractivity: 38.865 cm^3
• Polarizability: 15.211721 Å^3
• Polar Surface Area: 63.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 149 g L^-1 (at 20 °C) in water; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless
• Apperance: Colourless liquid
• Melting Point: 17.9-21 °C(lit.); 19-21 °C; 19-21°C; 21 °C; 21°C; 21.60°C (294.75K)
• Boiling Point: 190-193 °C/5 mmHg(lit.); 206-207°C/15mm; 335 °C at 1013 hPa; 335°C; 335.40°C (608.55K)
• Flash Point: 179 °C; 185°C(365°F); 354.2 °F; ca. 190 °C (closed cup)
• Auto Ignition Point: 324 °C; 325 °C; 600 °F
• Density: 1.124; 1.124 g mL^-1; 1.124 g/cm^3 at 20 °C; 1.124 g/ml; 1.124 g/mL at 25 °C(lit.)
• Refractive Index: 1.485; 1.4850; n20/D 1.481-1.486; n20/D 1.485; n20/D 1.485(lit.)
• Vapor Pressure: .000000477 hPa at 25 °C; 0.01 mmHg ( 20 °C); 1 Pa (at 20 °C)
• Vapor Density: 5.14 (air = 1); 5.14 (vs air)
• Partition Coefficient: -0.988
• Absorption Wavelength: 280 nm; λ: 280 nm Amax: 0.1
• pKa: 7.8; 7.8 (25°C)
• Odor: Ammoniacal
• Heat Capacity: 389 J K^-1 mol^-1
• Std enthalpy of combustion: -3.8421–-3.8391 MJ mol^-1
• Std enthalpy of formation: -665.7–-662.7 kJ mol^-1
• Transition Temperature: solidification point 19-22 °C; solidification point 20-22 °C
• pH: 10.5-11.5 (25 °C, 1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate, Store Under Nitrogen, Protect from light
• Storage Warning: Air Sensitive & Hygroscopic
• RTECS: KL9275000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/38; R:43-36/37/38; r36/37/38
• Safety Statements: 36-37; S:24/25-26-37/39; s26
• TSCA Listed: 是
• GHS Pictograms: GHS exclamation mark; GHS07
• GHS Signal Word: WARNING
• NFPA704:
  

  1

  2

  0
• LD50: 2.2 g kg^-1 (oral, guinea pig); 2.2 g kg^-1 (oral, rabbit); 22.5 g kg^-1 (dermal, rabbit); 5.53 g kg^-1 (oral, rat); 5.846 g kg^-1 (oral, mouse)
• Explode Limits: 1.3–8.5%; 8.5 %
• GHS Hazard statements: 319; H315-H319
• GHS Precautionary statements: 305+351+338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥80% (GC); ≥97.0% (GC); ≥98%; ≥98% (GC); ≥98.0%; ≥98.5% (GC); ≥99% (GC); ≥99.0% (GC); ≥99.5% (GC); 95+%; 97-98%; 98%; 98+%
• Grade: JIS special grade; puriss.; puriss. p.a.; purum; reagent grade; SAJ first grade; technical
• Ignition Residue: ≤0.005% (as SO4); ≤0.05% (as SO4); ≤0.1% (as SO4)
• Impurities: ≤0.0001% heavy metals (as Pb); ≤0.1% ethanolamine; ≤0.1% ethanolamine (GC); ≤0.1% water (Karl Fischer); ≤0.2% water; ≤0.2% water (Karl Fischer); ≤0.3% diethanolamine (GC); ≤0.3% water (Karl Fischer); ≤0.5% diethanolamine (GC); ≤1% diethanolamine (GC); ≤20% water (Karl Fischer); insoluble matter, passes filter test
• Cation Traces: Al: ≤2 mg/kg; As: ≤0.1 mg/kg; Ba: ≤1 mg/kg; Bi: ≤2 mg/kg; Ca: ≤5 mg/kg; Cd: ≤1 mg/kg; Co: ≤1 mg/kg; Cr: ≤1 mg/kg; Cu: ≤1 mg/kg; Fe: ≤1 mg/kg; K: ≤20 mg/kg; Li: ≤1 mg/kg; Mg: ≤1 mg/kg; Mn: ≤1 mg/kg; Mo: ≤1 mg/kg; Na: ≤20 mg/kg; Ni: ≤1 mg/kg; Pb: ≤1 mg/kg; Sr: ≤1 mg/kg; Zn: ≤1 mg/kg
• Antion Traces: chloride (Cl-): ≤1 mg/kg; chloride (Cl-): ≤5 mg/kg; sulfate (SO42-): ≤20 mg/kg
• pH Range: 7.3 - 8.3
• Quality: meets analytical specification of NF
• λ: 1 M in H2O
• Useful pH Range: 7.3 - 8.3
• Product Line: BioUltra
• abs.: absorption1M/270 nm, H2O cut-off
• Linear Formula: (HOCH2CH2)3N

DETAILS

MP Biomedicals - 02152163

Free Base
Purity: 97-98%
1 ml = approx. 1.12 g
NOT FOR EXPORT

Sigma Aldrich - 90278

Other Notes
Buffer in recommended method for alanine amionopeptidase in urine1

Sigma Aldrich - T58300

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
1, 4 kg in poly bottle
20 kg in steel drum
25 g in poly bottle

REFERENCES

• Reacts with N-alkylanilines in dioxane (autoclave) in the presence of Dichlorotris(triphenylphosphine)ruthenium(II), L00373, to give 1-alkyl indoles in good yield: Synth. Commun., 26, 1349 (1996).