| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-05-02 12:45:20 UTC |
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| Update date | 2018-05-04 14:15:47 UTC |
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| FoodComEx ID | PC001210 |
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| FoodDB Record | FDB022852 |
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| Chemical Information |
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| Name | Monoethyl phthalate |
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| Description | Monoethyl phthalate (mEtP) is a metabolite, or breakdown product, of diethyl phthalate, used in perfume, cologne, deodorant, soap, shampoo, lotion, and other personal care products, particularly those containing fragrance (http://www.ewg.org/sites/humantoxome/chemicals/chemical.php?chemid=100364). [HMDB] |
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| CAS Number | 2306-33-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-(Ethoxycarbonyl)benzoate | hmdb | | 2-(Ethoxycarbonyl)benzoic acid | hmdb | | MEtP | ChEBI | | Phthalate monoethyl ester | Generator | | Phthalic acid monoethyl ester | ChEBI |
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| Chemical Formula | C10H10O4 |
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| IUPAC name | 2-(ethoxycarbonyl)benzoic acid |
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| InChI Identifier | InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12) |
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| InChI Key | YWWHKOHZGJFMIE-UHFFFAOYSA-N |
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| Isomeric SMILES | CCOC(=O)C1=CC=CC=C1C(O)=O |
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| Average Molecular Weight | 194.184 |
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| Monoisotopic Molecular Weight | 194.057908808 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
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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 | Benzoic acid esters |
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| Alternative Parents | |
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| Substituents | - Benzoate ester
- Benzoic acid
- Benzoyl
- Dicarboxylic acid or derivatives
- Carboxylic acid ester
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- 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 | 1 to 2 ml |
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| Delivery Time | 2 weeks |
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| Storage Form | liquid |
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| Storage Conditions | 4°C |
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| Stability | Not Available |
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| Purity | unknown |
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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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| Augustin Scalbert | International Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372 | scalberta@iarc.fr |
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| Commercial Vendors |
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| Toronto Research Chemicals | M542580 |
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