Record Information |
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Version | 2.0 |
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Creation Date | 2012-07-30 14:55:03 -0600 |
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Update Date | 2015-09-13 15:15:31 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Isethionic acid |
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Description | Isethionic acid (C2H6O4S) is a short chain alkane sulfonate containing hydroxy group, is a water soluble liquid used in the manufacture of mild, biodegradable and high foaming anionic surfactants which provides gentle cleansing and soft skin feel.; A colorless, syrupy, strongly acidic liquid that can form detergents with oleic acid. The Escherichia coli ssuEADCB gene cluster is required for the utilization of alkanesulfonates (such as isethionic acid) as sulfur sources, and is expressed under conditions of sulfate or cysteine starvation. |
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Structure | |
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Synonyms: | - (2-Hydroxyethyl)sulfonate
- (2-Hydroxyethyl)sulfonic acid
- (2-Hydroxyethyl)sulphonate
- (2-Hydroxyethyl)sulphonic acid
- 2-Hydroxy-Ethanesulfonate
- 2-Hydroxy-Ethanesulfonic acid
- 2-Hydroxy-Ethanesulphonate
- 2-Hydroxy-Ethanesulphonic acid
- 2-Hydroxyethane-1-sulfonate
- 2-Hydroxyethane-1-sulfonic acid
- 2-Hydroxyethane-1-sulphonate
- 2-Hydroxyethane-1-sulphonic acid
- 2-Hydroxyethanesulfonate
- 2-Hydroxyethanesulfonic acid
- 2-Hydroxyethanesulphonate
- 2-Hydroxyethanesulphonic acid
- 2-Hydroxyethylsulfonate
- 2-Hydroxyethylsulfonic acid
- 2-Hydroxyethylsulphonate
- 2-Hydroxyethylsulphonic acid
- b-Hydroxyethanesulfonate
- b-Hydroxyethanesulfonic acid
- b-Hydroxyethanesulphonate
- b-Hydroxyethanesulphonic acid
- Beta-Hydroxyethanesulfonate
- Beta-Hydroxyethanesulfonic acid
- Beta-Hydroxyethanesulphonate
- Beta-Hydroxyethanesulphonic acid
- Ethanolsulfonate
- Ethanolsulfonic acid
- Ethanolsulphonate
- Ethanolsulphonic acid
- Hydroxyethylsulfonate
- Hydroxyethylsulfonic acid
- Hydroxyethylsulphonate
- Hydroxyethylsulphonic acid
- Isethionate
- Isethionate sodium salt
- Isethionic acid
- Isethionic acid sodium salt
- Kyselina isethionova
- Potassium 2-hydroxyethanesulfonate
- Potassium 2-hydroxyethanesulfonic acid
- Potassium 2-hydroxyethanesulphonate
- Potassium 2-hydroxyethanesulphonic acid
- Potassium isethionate
- Potassium isethionic acid
- Sodium 2-hydroxyethanesulfonate
- Sodium 2-hydroxyethanesulfonic acid
- Sodium 2-hydroxyethanesulphonate
- Sodium 2-hydroxyethanesulphonic acid
- Sodium 2-hydroxyethyl sulfonate
- Sodium 2-hydroxyethyl sulfonic acid
- Sodium 2-hydroxyethyl sulphonate
- Sodium 2-hydroxyethyl sulphonic acid
- Sodium b-hydroxyethanesulfonate
- Sodium b-hydroxyethanesulfonic acid
- Sodium b-hydroxyethanesulphonate
- Sodium b-hydroxyethanesulphonic acid
- Sodium beta-hydroxyethanesulfonate
- Sodium beta-hydroxyethanesulfonic acid
- Sodium beta-hydroxyethanesulphonate
- Sodium beta-hydroxyethanesulphonic acid
- Sodium isethionate
- Sodium isethionic acid
- Sodium β-hydroxyethanesulfonate
- Sodium β-hydroxyethanesulfonic acid
- Sodium β-hydroxyethanesulphonate
- Sodium β-hydroxyethanesulphonic acid
- β-Hydroxyethanesulfonate
- β-Hydroxyethanesulfonic acid
- β-Hydroxyethanesulphonate
- β-Hydroxyethanesulphonic acid
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Chemical Formula: | C2H6O4S |
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Weight: | Average: 126.132 Monoisotopic: 125.99867937 |
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InChI Key: | SUMDYPCJJOFFON-UHFFFAOYSA-N |
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InChI: | InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) |
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CAS number: | 107-36-8 |
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IUPAC Name: | 2-hydroxyethane-1-sulfonic acid |
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Traditional IUPAC Name: | sodium isethionate |
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SMILES: | OCCS(O)(=O)=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Organic sulfonic acids and derivatives |
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Sub Class | Organosulfonic acids and derivatives |
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Direct Parent | Organosulfonic acids |
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Alternative Parents | |
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Substituents | - Alkanesulfonic acid
- Sulfonyl
- Organosulfonic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organosulfur compound
- 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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Physical Properties |
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State: | Solid |
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Charge: | -1 |
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Melting point: | < 25 °C |
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Experimental Properties: | Property | Value | Source |
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Water Solubility: | 1000 mg/mL | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-000y-9100000000-91c2f22c70185fb5bafe | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-00dj-9300000000-7f0eccc0156cbd7e5b23 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-004i-0900000000-b8df238a554a2725a4d6 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-004i-6900000000-c72536efb4cfd09b2759 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-001i-9000000000-61473ee5b4612e7ca273 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-001i-9000000000-d85e73096201062faad2 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-004i-9000000000-ce44d57a4275daa8f563 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-981a5a0ee1738f6dd44b | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9000000000-2bcca3d457e8f9197dda | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 10V, Negative | splash10-0002-9300000000-620379edca41de90b8d3 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-056r-0900000000-f83dca3bb4164fb39fc2 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-054k-8900000000-111dba10014f3cc5c403 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-056r-9300000000-5cc44eb483ce09d49510 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00e9-6900000000-c1573e4b7aa0acf67018 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0089-9600000000-894c171421adedc823bb | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-b8c542a1a77eb7a6a191 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0900000000-6b3e5cddcb84b830073f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-9000000000-a6fb8cd4d3dc149be309 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-d1be4ea1280b92cdc8d6 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0059-5900000000-946a0582ff1c22137b29 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03ea-9200000000-1efad064df378bad76b1 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-9000000000-2c4a3db8921d94d7f526 | View in MoNA |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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References |
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References: | - Kersten A, Althaus C, Seitz HM, Pfahl HG, Sundmacher R: [Bilateral microsporidial keratitis in an HIV-positive patient with AIDS stage infection] Klin Monatsbl Augenheilkd. 1998 Jun;212(6):476-9. Pubmed: 9715470
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Synthesis Reference: | Chen, Zhiwen; Liao, Xiangxu; Qian, Weiqiang; et al. Process for preparation of hydroxyalkanesulfonic acids for plating solutions. Faming Zhuanli Shenqing Gongkai Shuomingshu (1990), 6 pp. |
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Material Safety Data Sheet (MSDS) | Download (PDF) |
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Links |
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External Links: | |
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