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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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T107253-100ml
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100ml |
2
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$10.90
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T107253-500ml
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500ml |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
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$38.90
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Plasticizer that was evaluated for endocrine disrupting activities through estrogen receptor alpha binding assay.
| Synonyms | 1,2,4-BENZENETRICARBOXYLIC ACID TRI(2-ETHYLHEXYL)ESTER | Trimellitic Acid Tris(2-ethylhexyl) Ester | SCHEMBL34167 | TRIS(2-ETHYLHEXYL) TRIMELLITATE [HSDB] | Tris(2-ethylhexyl)trimellitate | EC 222-020-0 | tri(2-ethyl hexyl) trimellitate | 1,2,4-Benzenetri |
|---|---|
| Specifications & Purity | ≥97% |
| Biochemical and Physiological Mechanisms | Plasticizer that was evaluated for endocrine disrupting activities through estrogen receptor alpha binding assay. Has no affinity for ERalpha. |
| Shipped In | Normal |
| Note | Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Tricarboxylic acids and derivatives Benzoyl derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Pubchem Sid | 504752902 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752902 |
| IUPAC Name | tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate |
| INCHI | InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3 |
| InChIKey | KRADHMIOFJQKEZ-UHFFFAOYSA-N |
| Smiles | CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC |
| Isomeric SMILES | CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC |
| WGK Germany | 1 |
| RTECS | DC2080000 |
| PubChem CID | 18725 |
| Molecular Weight | 546.78 |
| Beilstein | 2683525 |
| Reaxy-Rn | 2683525 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Aug 17, 2023 | T107253 | |
| Certificate of Analysis | Aug 17, 2023 | T107253 | |
| Certificate of Analysis | Aug 17, 2023 | T107253 | |
| Certificate of Analysis | Apr 22, 2022 | T107253 |
| Refractive Index | 1.485-1.487 |
|---|---|
| Flash Point(°F) | 263 °C |
| Flash Point(°C) | 263°C |
| Boil Point(°C) | 414°C |
| Molecular Weight | 546.800 g/mol |
| XLogP3 | 10.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 24 |
| Exact Mass | 546.392 Da |
| Monoisotopic Mass | 546.392 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 677.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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