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102-71-6 molecular structure
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2-[bis(2-hydroxyethyl)amino]ethan-1-ol

ChemBase ID: 103569
Molecular Formular: C6H15NO3
Molecular Mass: 149.1882
Monoisotopic Mass: 149.10519335
SMILES and InChIs

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

Cite this record

CBID:103569 http://www.chembase.cn/molecule-103569.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
102-71-6
EC Number
203-049-8
MDL Number
MFCD00002855
Beilstein Number
1699263
Merck Index
149665
PubChem SID
162090908
24889340
24850021
24849740
24860470
24900320
24889339
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

CALCULATED PROPERTIES

JChem
Acid pKa 15.115809  H Acceptors
H Donor LogD (pH = 5.5) -4.7145576 
LogD (pH = 7.4) -2.9557004  Log P -1.8801366 
Molar Refractivity 38.865 cm3 Polarizability 15.211721 Å3
Polar Surface Area 63.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
149 g L-1 (at 20 °C) in water expand Show data source
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
H2O: soluble1 M, clear, colorless expand Show data source
Apperance
Colourless liquid expand Show data source
Melting Point
17.9-21 °C(lit.) expand Show data source
19-21 °C expand Show data source
19-21°C expand Show data source
21 °C expand Show data source
21°C expand Show data source
21.60°C (294.75K) expand Show data source
Boiling Point
190-193 °C/5 mmHg(lit.) expand Show data source
206-207°C/15mm expand Show data source
335 °C at 1013 hPa expand Show data source
335°C expand Show data source
335.40°C (608.55K) expand Show data source
Flash Point
179 °C expand Show data source
185°C(365°F) expand Show data source
354.2 °F expand Show data source
ca. 190 °C (closed cup) expand Show data source
Auto Ignition Point
324 °C expand Show data source
325 °C expand Show data source
600 °F expand Show data source
Density
1.124 expand Show data source
1.124 g mL-1 expand Show data source
1.124 g/cm3 at 20 °C expand Show data source
1.124 g/ml expand Show data source
1.124 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.485 expand Show data source
1.4850 expand Show data source
n20/D 1.481-1.486 expand Show data source
n20/D 1.485 expand Show data source
n20/D 1.485(lit.) expand Show data source
Vapor Pressure
.000000477 hPa at 25 °C expand Show data source
0.01 mmHg ( 20 °C) expand Show data source
1 Pa (at 20 °C) expand Show data source
Vapor Density
5.14 (air = 1) expand Show data source
5.14 (vs air) expand Show data source
Partition Coefficient
-0.988 expand Show data source
Absorption Wavelength
280 nm expand Show data source
λ: 280 nm Amax: 0.1 expand Show data source
pKa
7.8 expand Show data source
7.8 (25°C) expand Show data source
Odor
Ammoniacal expand Show data source
Heat Capacity
389 J K-1 mol-1 expand Show data source
Std enthalpy of combustion
-3.8421–-3.8391 MJ mol-1 expand Show data source
Std enthalpy of formation
-665.7–-662.7 kJ mol-1 expand Show data source
Transition Temperature
solidification point 19-22 °C expand Show data source
solidification point 20-22 °C expand Show data source
pH
10.5-11.5 (25 °C, 1 M in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate, Store Under Nitrogen, Protect from light expand Show data source
Storage Warning
Air Sensitive & Hygroscopic expand Show data source
RTECS
KL9275000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
36/38 expand Show data source
R:43-36/37/38 expand Show data source
r36/37/38 expand Show data source
Safety Statements
36-37 expand Show data source
S:24/25-26-37/39 expand Show data source
s26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS exclamation mark expand Show data source
GHS07 expand Show data source
GHS Signal Word
WARNING expand Show data source
NFPA704
NFPA 704 diagram
1
2
0
expand Show data source
LD50
2.2 g kg-1 (oral, guinea pig) expand Show data source
2.2 g kg-1 (oral, rabbit) expand Show data source
22.5 g kg-1 (dermal, rabbit) expand Show data source
5.53 g kg-1 (oral, rat) expand Show data source
5.846 g kg-1 (oral, mouse) expand Show data source
Explode Limits
1.3–8.5% expand Show data source
8.5 % expand Show data source
GHS Hazard statements
319 expand Show data source
H315-H319 expand Show data source
GHS Precautionary statements
305+351+338 expand Show data source
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥80% (GC) expand Show data source
≥97.0% (GC) expand Show data source
≥98% expand Show data source
≥98% (GC) expand Show data source
≥98.0% expand Show data source
≥98.5% (GC) expand Show data source
≥99% (GC) expand Show data source
≥99.0% (GC) expand Show data source
≥99.5% (GC) expand Show data source
95+% expand Show data source
97-98% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
JIS special grade expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
reagent grade expand Show data source
SAJ first grade expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.005% (as SO4) expand Show data source
≤0.05% (as SO4) expand Show data source
≤0.1% (as SO4) expand Show data source
Impurities
≤0.0001% heavy metals (as Pb) expand Show data source
≤0.1% ethanolamine expand Show data source
≤0.1% ethanolamine (GC) expand Show data source
≤0.1% water (Karl Fischer) expand Show data source
≤0.2% water expand Show data source
≤0.2% water (Karl Fischer) expand Show data source
≤0.3% diethanolamine (GC) expand Show data source
≤0.3% water (Karl Fischer) expand Show data source
≤0.5% diethanolamine (GC) expand Show data source
≤1% diethanolamine (GC) expand Show data source
≤20% water (Karl Fischer) expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤2 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤1 mg/kg expand Show data source
Bi: ≤2 mg/kg expand Show data source
Ca: ≤5 mg/kg expand Show data source
Cd: ≤1 mg/kg expand Show data source
Co: ≤1 mg/kg expand Show data source
Cr: ≤1 mg/kg expand Show data source
Cu: ≤1 mg/kg expand Show data source
Fe: ≤1 mg/kg expand Show data source
K: ≤20 mg/kg expand Show data source
Li: ≤1 mg/kg expand Show data source
Mg: ≤1 mg/kg expand Show data source
Mn: ≤1 mg/kg expand Show data source
Mo: ≤1 mg/kg expand Show data source
Na: ≤20 mg/kg expand Show data source
Ni: ≤1 mg/kg expand Show data source
Pb: ≤1 mg/kg expand Show data source
Sr: ≤1 mg/kg expand Show data source
Zn: ≤1 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤1 mg/kg expand Show data source
chloride (Cl-): ≤5 mg/kg expand Show data source
sulfate (SO42-): ≤20 mg/kg expand Show data source
pH Range
7.3 - 8.3 expand Show data source
Quality
meets analytical specification of NF expand Show data source
λ
1 M in H2O expand Show data source
Useful pH Range
7.3 - 8.3 expand Show data source
Product Line
BioUltra expand Show data source
abs.
absorption1M/270 nm, H2O cut-off expand Show data source
Linear Formula
(HOCH2CH2)3N expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152163 external link
Free Base
Purity: 97-98%
1 ml = approx. 1.12 g
NOT FOR EXPORT
Sigma Aldrich - 90278 external link
Other Notes
Buffer in recommended method for alanine amionopeptidase in urine1
Sigma Aldrich - T58300 external link
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

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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