| 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 21:02:30 UTC |
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| Update Date | 2023-03-30 21:02:30 UTC |
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| HMDB ID | HMDB0341508 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | Mono-2-methyl-2-hydroxypropyl phthalate |
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| Description | Mono-2-methyl-2-hydroxypropyl phthalate belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Based on a literature review a significant number of articles have been published on Mono-2-methyl-2-hydroxypropyl phthalate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| mono-2-Methyl-2-hydroxypropyl phthalic acid | Generator |
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| Chemical Formula | C12H13O5 |
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| Average Molecular Weight | 237.232 |
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| Monoisotopic Molecular Weight | 237.076847099 |
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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 | LTLINVWNJJAVGH-UHFFFAOYSA-M |
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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
- Tertiary alcohol
- Carboxylic acid salt
- Carboxylic acid ester
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Organic anion
- 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 | 57540557 |
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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 | 71371900 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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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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