| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:38 UTC |
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| Update date | 2017-01-19 02:36:42 UTC |
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| FoodComEx ID | PC000963 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | 2,6-Dimethoxybenzoic acid |
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| Description | A polyphenol compound found in foods of plant origin (PhenolExplorer). |
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| CAS Number | 1466-76-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2,6-Dimethoxy-benzoic acid | biospider | | 6-Dimethoxybenzoate | Generator | | Benzoic acid, 2,6-dimethoxy- | biospider |
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| Chemical Formula | Not Available |
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| IUPAC name | Not Available |
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| InChI Identifier | InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) |
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| InChI Key | MBIZFBDREVRUHY-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=CC=CC(OC)=C1C(O)=O |
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| Average Molecular Weight | 182.1733 |
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| Monoisotopic Molecular Weight | 182.057908808 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group. |
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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 | O-methoxybenzoic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - O-methoxybenzoic acid or derivatives
- Dimethoxybenzene
- M-dimethoxybenzene
- Benzoic acid
- Methoxybenzene
- Anisole
- Phenol ether
- Phenoxy compound
- Benzoyl
- Alkyl aryl ether
- Monocarboxylic acid or derivatives
- Ether
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | 0.66 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | 186 oC | |
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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 | E065 |
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| AKSci | J91712 |
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