| Record Information |
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| Version | 5.0 |
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| Status | Expected but not Quantified |
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| Creation Date | 2023-03-30 18:11:50 UTC |
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| Update Date | 2023-03-30 18:11:50 UTC |
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| HMDB ID | HMDB0341487 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | Mono-2-ethyl-5-carboxypentyl terephthalate |
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| Description | Mono-2-ethyl-5-carboxypentyl terephthalate belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton. Based on a literature review a significant number of articles have been published on Mono-2-ethyl-5-carboxypentyl terephthalate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| mono-2-Ethyl-5-carboxypentyl terephthalic acid | Generator |
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| Chemical Formula | C16H20O6 |
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| Average Molecular Weight | 308.33 |
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| Monoisotopic Molecular Weight | 308.125988364 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | Not Available |
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| SMILES | Not Available |
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| InChI Identifier | Not Available |
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| InChI Key | BIQPFHSSQDGFTK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton. |
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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 | p-Phthalate esters |
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| Alternative Parents | |
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| Substituents | - Para-phthalic acid ester
- Para_phthalic_acid
- Benzoate ester
- Tricarboxylic acid or derivatives
- Benzoic acid
- Benzoyl
- Carboxylic acid ester
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Not Available | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Molecular Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Experimental Chromatographic Properties | Not Available |
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| Predicted Molecular Properties | Not Available |
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| Predicted Chromatographic Properties | Predicted Retention Times Not AvailablePredicted Kovats Retention IndicesNot Available |
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| Spectra |
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| Biological Properties |
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| Cellular Locations | Not Available |
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| Biospecimen Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | |
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| Normal Concentrations |
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| Not Available |
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| Abnormal Concentrations |
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| Not Available |
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| Associated Disorders and Diseases |
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| Disease References | None |
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| Associated OMIM IDs | None |
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| External Links |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FooDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 95761302 |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 145459123 |
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| PDB ID | Not Available |
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| ChEBI ID | 165207 |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| MarkerDB ID | Not Available |
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| Good Scents ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| Material Safety Data Sheet (MSDS) | Not Available |
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| General References | Not Available |
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