| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:37 UTC |
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| Update date | 2017-01-19 02:36:42 UTC |
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| FoodComEx ID | PC000961 |
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| FoodDB Record | FDB000845 |
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| Chemical Information |
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| Name | 2,6-Dihydroxybenzoic acid |
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| Description | 2,6-dihydroxybenzoic acid, also known as gamma-resorcylic acid or 6-hydroxysalicylic acid, is a member of the class of compounds known as salicylic acids. Salicylic acids are ortho-hydroxylated benzoic acids. 2,6-dihydroxybenzoic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2,6-dihydroxybenzoic acid can be found in beer and olive, which makes 2,6-dihydroxybenzoic acid a potential biomarker for the consumption of these food products. 2,6-dihydroxybenzoic acid can be found primarily in blood and urine. 2,6-Dihydroxybenzoic acid (γ-resorcylic acid) is a dihydroxybenzoic acid. It is a very strong acid due to its intramolecular hydrogen bonding . |
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| CAS Number | 303-07-1 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| g-Resorcylic acid, 8CI | db_source | | Resorcinol-2-carboxylic acid | db_source |
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| Chemical Formula | C7H6O4 |
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| IUPAC name | 2,6-dihydroxybenzoic acid |
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| InChI Identifier | InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11) |
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| InChI Key | AKEUNCKRJATALU-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C1=C(O)C=CC=C1O |
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| Average Molecular Weight | 154.121 |
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| Monoisotopic Molecular Weight | 154.026608673 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzoic acids and derivatives |
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| Direct Parent | Salicylic acids |
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| Alternative Parents | |
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| Substituents | - Salicylic acid
- Benzoic acid
- Benzoyl
- Resorcinol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Vinylogous acid
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organic oxide
- Organooxygen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 2 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | E671 |
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| AKSci | J94132 |
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| MetaSci | HMDB0013676 |
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| Sigma-Aldrich | HMDB0013676 |
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| Toronto Research Chemicals | H946265 |
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