Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:11:17 UTC |
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Update date | 2019-11-26 03:10:05 UTC |
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Primary ID | FDB014459 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Boric acid (H3BO3) |
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Description | Boric acid (H3BO3), also known as H3BO3 or [b(OH)3], belongs to the class of inorganic compounds known as miscellaneous borates. These are inorganic compounds in which the largest metallic oxoanion is borate, to which either no atom or a non metal atom is bonded. Boric acid (H3BO3) exists in all living organisms, ranging from bacteria to humans. Boric acid (H3BO3) is found, on average, in the highest concentration within pomegranates (Punica granatum). Boric acid (H3BO3) has also been detected, but not quantified in, a few different foods, such as figs (Ficus carica), french plantains (Musa X paradisiaca), and redcurrants (Ribes rubrum). This could make boric acid (H3bo3) a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Boric acid (H3BO3). |
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CAS Number | 10043-35-3 |
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Structure | |
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Synonyms | Synonym | Source |
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[b(OH)3] | ChEBI | b(OH)3 | ChEBI | Boron trihydroxide | ChEBI | H3BO3 | ChEBI | Orthoboric acid | ChEBI | Orthobate | Generator | Orthobic acid | Generator | bate (H3BO3) | Generator | bic acid (H3BO3) | Generator | bate | Generator, HMDB | bic acid | Generator, HMDB | (10b)Orthoboric acid | HMDB | 1332-77-0 (Di-potassium salt) | HMDB | Acidum boricum | HMDB | Ant flip | HMDB | Basilit b | HMDB | Bluboro | HMDB | Boracic acid | HMDB | Borate | HMDB | Borate (b4O7(2-)) | HMDB | boric acid (BH3O3) | HMDB | boric acid (H310BO3) | HMDB | boric acid (JP15/nf) | HMDB | boric acid, Acs | HMDB | Borofax | HMDB | Boron hydroxide | HMDB | Collyrium eye wash | HMDB | Dr.'S 1 flea terminator DF | HMDB | Dr.'S 1 flea terminator dfpbo | HMDB | Dr.'S 1 flea terminator DT | HMDB | Dr.'S 1 flea terminator dtpbo | HMDB | Flea prufe | HMDB | Heptaoxotetra-borate(2-) | HMDB | Homberg'S salt | HMDB | Hydrogen orthoborate | HMDB | Kill-OFF | HMDB | Kjel-sorb | HMDB | Orthboric acid | HMDB | Orthoboric acid (b(OH)3) | HMDB | Orthoboric acid (H3bo3) | HMDB | Super flea eliminator | HMDB | Tetraborate | HMDB | Three elephant | HMDB | Trihydroxidoboron | HMDB | Trihydroxyborane | HMDB | Trihydroxyborone | HMDB | Boron oxide hydroxide | MeSH | (10B)Orthoboric acid | biospider | [B(OH)3] | biospider | 1332-77-0 (di-potassium salt) | biospider | B(OH)3 | biospider | Borate (B4O7(2-)) | biospider | Borate(2-), heptaoxotetra- | biospider | bORIC ACID | ChEBI | Boric acid (BH3O3) | biospider | Boric acid (H310BO3) | biospider | Boric acid (JP15/NF) | biospider | Boric acid (TN) | biospider | Boric acid (van) | biospider | Boric acid [usan:jan] | biospider | Boric acid, acs | biospider | Dr.'s 1 Flea Terminator DF | biospider | Dr.'s 1 Flea Terminator DFPBO | biospider | Dr.'s 1 Flea Terminator DT | biospider | Dr.'s 1 Flea Terminator DTPBO | biospider | Homberg's salt | biospider | Kill-off | biospider | Orthoboric acid (B(OH)3) | biospider | Orthoboric acid (H3BO3) | biospider |
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Predicted Properties | |
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Chemical Formula | BH3O3 |
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IUPAC name | boric acid |
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InChI Identifier | InChI=1S/BH3O3/c2-1(3)4/h2-4H |
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InChI Key | KGBXLFKZBHKPEV-UHFFFAOYSA-N |
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Isomeric SMILES | OB(O)O |
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Average Molecular Weight | 61.833 |
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Monoisotopic Molecular Weight | 62.017524428 |
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Classification |
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Description | Belongs to the class of inorganic compounds known as miscellaneous borates. These are inorganic compounds in which the largest metallic oxoanion is borate, to which either no atom or a non metal atom is bonded. |
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Kingdom | Inorganic compounds |
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Super Class | Mixed metal/non-metal compounds |
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Class | Miscellaneous mixed metal/non-metals |
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Sub Class | Miscellaneous metallic oxoanionic compounds |
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Direct Parent | Miscellaneous borates |
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Alternative Parents | |
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Substituents | - Borate
- Inorganic salt
- Inorganic metalloid salt
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Molecular Framework | Not Available |
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External Descriptors | |
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Ontology |
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Physiological effect | Organoleptic effect: |
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Disposition | Route of exposure: Source: Biological location: |
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Role | Industrial application: Biological role: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | B 17.48%; H 4.89%; O 77.63% | DFC |
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Melting Point | Mp 171° | DFC |
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Boiling Point | Not Available | |
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Experimental Water Solubility | 50 mg/mL at 25 oC | SHIU,WY et al. (1990) |
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Experimental logP | 0.18 | WHO EHC 204 Boron |
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Experimental pKa | 9.24 | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Boric acid (H3BO3), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-9000000000-bbc2ef0502723cb1626e | Spectrum | Predicted GC-MS | Boric acid (H3BO3), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-9000000000-677c9c32b74aec8966ea | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-9000000000-b1e9faff0539b871c6d2 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-9000000000-62bf52315368ab01f8d0 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-9000000000-83fb7281cdb2fa8b9902 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-9000000000-eb0715d970431bb2a1b3 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-9000000000-08dde90327520c636be4 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-9000000000-d95e5a34493d97f7c66d | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9000000000-ecbfa201dcffb0305655 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-ecbfa201dcffb0305655 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-9000000000-773da64ed7032162af7c | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-9000000000-5cedca1f65055425d197 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-58e0888a4c1b340a5d82 | Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 7346 |
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ChEMBL ID | CHEMBL42403 |
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KEGG Compound ID | C12486 |
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Pubchem Compound ID | 7628 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 33118 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB35731 |
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CRC / DFC (Dictionary of Food Compounds) ID | JQX55-F:JQX55-F |
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EAFUS ID | 354 |
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Dr. Duke ID | BORIC-ACID |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | BO3 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Descriptor | ID | Definition | Reference |
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insecticide | 24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | DUKE |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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