Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2012-09-11 17:50:21 UTC |
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Update Date | 2023-02-21 17:22:18 UTC |
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HMDB ID | HMDB0032538 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Triethanolamine |
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Description | Triethanolamine, also known as H3TEA or trolamine, belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. A 2009 study stated that patch test reactions reveal a slight irritant potential instead of a true allergic response in several cases, and also indicated the risk of skin sensitization to TEOA seems to be very low. Triethanolamine is a drug. Triethanolamine is a potentially toxic compound. Triethanolamine aka Trolamine (abbr. as TEOA to distinguish it from TEA which is for triethylamine) is a viscous organic compound that is both a tertiary amine and a triol. TEOA is used to provide a sensitivity boost to silver-halide-based holograms, and also as a swelling agent to color shift holograms. Approximately 150,000 tonnes were produced in 1999. |
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Structure | InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2 |
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Synonyms | Value | Source |
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2,2',2''-NITRILOTRIETHANOL | ChEBI | 2,2',2''-Nitrilotris(ethanol) | ChEBI | H3Tea | ChEBI | N(CH2CH2OH)3 | ChEBI | Nitrilo-2,2',2''-triethanol | ChEBI | Nitrilotriethanol | ChEBI | TEA | ChEBI | Tris(2-hydroxyethyl)amine | ChEBI | Tris(beta-hydroxyethyl)amine | ChEBI | Trolamine | ChEBI | Mobisy | Kegg | Tris(b-hydroxyethyl)amine | Generator | Tris(β-hydroxyethyl)amine | Generator | 2,2', 2''-Nitrilotriethanol | HMDB | 2,2',2"-nitrilotriethanol | HMDB | 2,2',2''-Nitrilotri-ethanol | HMDB | 2,2',2''-Nitrilotris-ethanol | HMDB | 2,2',2''-Nitrilotrisethanol | HMDB | 2,2',2''-Nitrilotris[ethanol] | HMDB | 2,2',2''-Trihydroxy-triethylamine | HMDB | 2,2',2''-Trihydroxytriethylamine | HMDB | 2,2',2'-Nitrilotriethanol | HMDB | 2,2',2'-Nitrilotris-ethanol | HMDB | 2,2',2-Nitrilotriethanol | HMDB | 2,2',2-Nitrilotris(ethanol) | HMDB | 2,2',2Quot -nitrilotriethanol | HMDB | 2,2'2''-Nitrilotris-ethanol | HMDB | 2,2,2-Nitrilotriethanol | HMDB | 637-39-8 (Unspecified hydrochloride) | HMDB | 7376-31-0 (Unspecified sulfate salt) | HMDB | 7376-31-0 (Unspecified sulphate salt) | HMDB | Alkano | HMDB | Alkanolamine 244 | HMDB | BTB | HMDB | Cerumenex | HMDB | Daltogen | HMDB | Ethanol, 2,2',2''-nitrilotris-, homopolymer | HMDB | Mobisyl | HMDB | Nitrilo-2,2',2quot -triethanol | HMDB | Nitrilotris(ethanol) | HMDB | Poly(triethanolamine) ether | HMDB | Sodium isa | HMDB | Sterolamide | HMDB | Sting-kill | HMDB | Tea (amino alcohol) | HMDB | TEOA | HMDB | Thiofaco T-35 | HMDB | Tri(hydroxyethyl)amine | HMDB | Triaethanolamin-NG | HMDB | Triethanolamin | HMDB | Triethanolamin-NG | HMDB | Triethanolamine condensate polymer | HMDB | Triethanolamine homopolymer | HMDB | Triethylolamine | HMDB | Trihydroxyethylamine | HMDB | Trihydroxytriethylamine | HMDB | Tris(2-hydroxyethyl) amine | HMDB | Tris(beta -hydroxyethyl)amine | HMDB | Tris(hydroxyethyl)amine | HMDB | Trola | HMDB | Trolamine (NF) | HMDB | Triethanolamine acetate | HMDB | Triethanolamine hydrochloride | HMDB | Triethanolamine iodohydrate | HMDB | Triethanolamine sulfate | HMDB | Triethanolamine citrate | HMDB | Triethanolamine titanium salt | HMDB | Triethanolamine citrate (1:1) | HMDB | Triethanolamine maleate | HMDB | Triethanolamine phosphate | HMDB | Triethanolamine tartrate (1:1), (R-(r*,r*))-isomer | HMDB | Triethanolammonium chloride | HMDB | Triethanolamine copper salt | HMDB | Triethanolamine sulfate (2:1) | HMDB | Triethanolamine sulfite (1:1) | HMDB |
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Chemical Formula | C6H15NO3 |
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Average Molecular Weight | 149.1882 |
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Monoisotopic Molecular Weight | 149.105193351 |
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IUPAC Name | 2-[bis(2-hydroxyethyl)amino]ethan-1-ol |
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Traditional Name | triethanolamine |
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CAS Registry Number | 102-71-6 |
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SMILES | OCCN(CCO)CCO |
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InChI Identifier | InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2 |
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InChI Key | GSEJCLTVZPLZKY-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. |
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Kingdom | Organic compounds |
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Super Class | Organic nitrogen compounds |
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Class | Organonitrogen compounds |
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Sub Class | Amines |
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Direct Parent | 1,2-aminoalcohols |
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Alternative Parents | |
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Substituents | - Tertiary aliphatic amine
- Tertiary amine
- 1,2-aminoalcohol
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Triethanolamine,1TMS,isomer #1 | C[Si](C)(C)OCCN(CCO)CCO | 1494.9 | Semi standard non polar | 33892256 | Triethanolamine,2TMS,isomer #1 | C[Si](C)(C)OCCN(CCO)CCO[Si](C)(C)C | 1558.2 | Semi standard non polar | 33892256 | Triethanolamine,3TMS,isomer #1 | C[Si](C)(C)OCCN(CCO[Si](C)(C)C)CCO[Si](C)(C)C | 1649.1 | Semi standard non polar | 33892256 | Triethanolamine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCCN(CCO)CCO | 1720.2 | Semi standard non polar | 33892256 | Triethanolamine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCCN(CCO)CCO[Si](C)(C)C(C)(C)C | 2017.3 | Semi standard non polar | 33892256 | Triethanolamine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C | 2315.1 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Triethanolamine GC-MS (3 TMS) | splash10-03di-1970000000-1cdc1ba11e5a386f1352 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Triethanolamine EI-B (Non-derivatized) | splash10-014i-9800000000-98de38ceda39aaf45b22 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Triethanolamine GC-MS (Non-derivatized) | splash10-03di-1970000000-1cdc1ba11e5a386f1352 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Triethanolamine GC-MS (Non-derivatized) - 70eV, Positive | splash10-015j-8900000000-5fc1298b8ec2e7f10e7c | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Triethanolamine GC-MS (3 TMS) - 70eV, Positive | splash10-0ir0-6391000000-838d443b02ca677fd1e6 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Triethanolamine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Triethanolamine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-066r-9400000000-4742c6b283ff3c63f5cf | 2014-09-20 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine LC-ESI-QQ , positive-QTOF | splash10-0udi-0900000000-0c50692a60886d3a9842 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine LC-ESI-QQ , positive-QTOF | splash10-0ue9-3900000000-2610bf9e1d6b422b2581 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine LC-ESI-QQ , positive-QTOF | splash10-00di-9100000000-ad4771662a2213681b1c | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine LC-ESI-QQ , positive-QTOF | splash10-00dl-9000000000-3099cf0c685e5aa6736f | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine LC-ESI-QQ , positive-QTOF | splash10-006w-9000000000-d387d0ee743aefe8efec | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine LC-ESI-QTOF , positive-QTOF | splash10-0ue9-4900000000-a63f8f03a9f4f6fe4fd5 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine 30V, Positive-QTOF | splash10-006w-9000000000-91c4f38d178bece0a215 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine 40V, Positive-QTOF | splash10-0005-9000000000-1ec559c373553cf9e682 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine 30V, Positive-QTOF | splash10-0006-9000000000-d753303481ced16e9306 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine 0V, Positive-QTOF | splash10-0udi-0900000000-1261e0cc2f3543cd4145 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine 10V, Positive-QTOF | splash10-0udi-1900000000-f63e326d732966e5f5cc | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine 0V, Positive-QTOF | splash10-0udi-0900000000-8775afda0458474bd80c | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine 10V, Positive-QTOF | splash10-0udi-0900000000-0050f6f0702985876af3 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine 30V, Positive-QTOF | splash10-006w-9000000000-2f6d85672905dba735bd | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine 20V, Positive-QTOF | splash10-00dr-9200000000-5d9dbc3748ba56547377 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Triethanolamine 10V, Positive-QTOF | splash10-0udi-2900000000-b8d1e629bb99e801b6c3 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Triethanolamine 10V, Positive-QTOF | splash10-0udi-0900000000-ca2aa12d755f3b370137 | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Triethanolamine 20V, Positive-QTOF | splash10-0ue9-1900000000-2b587564dc84bdc0bc33 | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Triethanolamine 40V, Positive-QTOF | splash10-01pa-9300000000-57766f4027077ecafb7e | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Triethanolamine 10V, Negative-QTOF | splash10-0002-0900000000-b274020e58b6ef8d982c | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Triethanolamine 20V, Negative-QTOF | splash10-0002-1900000000-c82995f1eed61c2b1729 | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Triethanolamine 40V, Negative-QTOF | splash10-0fdo-9300000000-db20818734acbebe5241 | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Triethanolamine 10V, Positive-QTOF | splash10-001i-0900000000-67c8bd04b17ea1ae5dcf | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Triethanolamine 20V, Positive-QTOF | splash10-0ue9-1900000000-3fdb5cb1f4f838e493be | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Triethanolamine 40V, Positive-QTOF | splash10-0002-9100000000-497aac774da51dfe8d7b | 2021-09-23 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-04 | FELIX lab | View Spectrum |
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Disease References | Attachment loss |
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- Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
| Periodontal Probing Depth |
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- Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
| Cystic fibrosis |
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- Adriana Nori de Macedo. Robust capillary electrophoresis methods for biomarker discovery and routine measurements in clinical and epidemiological applications. March 2017 [Link]
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