| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 03:45:31 UTC |
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| Update Date | 2016-10-28 10:03:29 UTC |
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| Accession Number | CHEM011831 |
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| Identification |
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| Common Name | Trimethylolpropane Trimethacrylate |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - Cosmetic Chemicals
- HPV EPA Chemicals
- OECD HPV Chemicals
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 2-Ethyl-2(hydroxymethyl)-1,3-propanediol trimethacrylate | Kegg | | TMPT | Kegg | | 2-Ethyl-2(hydroxymethyl)-1,3-propanediol trimethacrylic acid | Generator | | 2,2-Bis({[(2-methylprop-2-enoyl)oxy]methyl})butyl 2-methylprop-2-enoic acid | Generator | | 2,2-Bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoic acid | Generator | | TMPTMA | MeSH | | Trimethylol propane trimethacrylate | MeSH | | Trimethylolpropane trimethacrylate | MeSH | | TRIMETHYLOLPROPANE trimethacrylic acid | Generator |
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| Chemical Formula | C18H26O6 |
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| Average Molecular Mass | 338.400 g/mol |
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| Monoisotopic Mass | 338.173 g/mol |
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| CAS Registry Number | 3290-92-4 |
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| IUPAC Name | 2,2-bis({[(2-methylprop-2-enoyl)oxy]methyl})butyl 2-methylprop-2-enoate |
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| Traditional Name | TMPT |
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| SMILES | CCC(COC(=O)C(C)=C)(COC(=O)C(C)=C)COC(=O)C(C)=C |
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| InChI Identifier | InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3 |
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| InChI Key | OKKRPWIIYQTPQF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Tricarboxylic acids and derivatives |
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| Direct Parent | Tricarboxylic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Tricarboxylic acid or derivatives
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0f79-1059000000-250a3553a7e1b26d07ec | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udl-8193000000-aecd2400b36f076161d2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9410000000-57946612db6bb2bd5fbd | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0009000000-c0f7a9e95a752f0c279b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9026000000-d3965b453153d1f9805a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-9020000000-5e3af6bf24a9b8cc50b7 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 18689 |
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| Kegg Compound ID | C14538 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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