| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-16 12:28:21 UTC |
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| Update date | 2018-04-27 10:07:21 UTC |
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| FoodComEx ID | PC001132 |
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| FoodDB Record | FDB010508 |
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| Chemical Information |
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| Name | 4-Hydroxybenzoic acid |
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| Description | Present in some berries (cranberry, strawberry...), stone fruit (olive) and other food. Metabolite of anthocyanins and flavanones. |
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| CAS Number | 99-96-7 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 4-Carboxyphenol | biospider | | 4-hydroxy-benzoate | biospider | | 4-Hydroxy-benzoesaeure | HMDB | | 4-hydroxy-benzoic acid | biospider | | 4-Hydroxybenzoate | biospider | | Benzoic acid, 4-hydroxy | biospider | | Benzoic acid, 4-hydroxy- | biospider | | Benzoic acid, p-hydroxy | biospider | | Benzoic acid, p-hydroxy- | biospider | | Catalpinic acid (obsol.) | db_source | | Hydroxybenzenecarboxylic acid | biospider | | Hydroxybenzoic acid | biospider | | Hydroxybenzoic acid, para | biospider | | P-carboxyphenol | biospider | | P-hydroxy-benzoate | biospider | | P-hydroxy-benzoic acid | biospider | | P-hydroxybenzoate | biospider | | P-hydroxybenzoic acid | biospider | | P-salicyclic acid | biospider | | P-salicylate | biospider | | p-Salicylic acid | db_source | | Para-hydroxybenzoic acid | biospider | | Paraben-acid | HMDB |
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| Chemical Formula | C7H6O3 |
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| IUPAC name | 4-hydroxybenzoic acid |
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| InChI Identifier | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
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| InChI Key | FJKROLUGYXJWQN-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C1=CC=C(O)C=C1 |
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| Average Molecular Weight | 138.122 |
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| Monoisotopic Molecular Weight | 138.031694053 |
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| Chemical Taxonomy |
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| Class | Polyphenols |
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| Family | Hydroxybenzoic acids |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | 1.58 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | 5 mg/mL at 25 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
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| Melting Point | Mp 213-214° | DFC |
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| Foods of Origin |
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| Cranberry, strawberry, olive, carrot, ... |
| 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 | 1 to 5 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | RT |
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| Stability | Not Available |
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| Purity | >98% |
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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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| Contact Name | Contact Institution | Contact Email |
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| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
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| Commercial Vendors |
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| AKSci | D775 |
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| AKSci | J10748 |
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| AKSci | J92723 |
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| Human Metabolome Library | HMDB0000500 |
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| MetaSci | HMDB0000500 |
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| Toronto Research Chemicals | S088120 |
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