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Basic Description
| Synonyms | DOA | BIS(2-ETHYLHEXYL) ADIPATE | Bis(2-ethylhexyl)hexanedioate | Merrol DOA | Vistone A 10 | Kemester 5652 | ADIPIC ACID BIS(2-ETHYLHEXYL) ESTER | NSC 56775 | 2072051-04-6 | DI-(2-ETHYLHEXYL)ADIPATE [MART.] | DS-7125 | NCI-C54386 | Adipic acid di[2-ethyl |
|---|---|
| Specifications & Purity | ≥99% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
- Subclass Fatty acid esters
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| External Descriptors | Phthalates |
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Associated Targets(Human)
TSHR
Tclin
Thyroid stimulating hormone receptor (29986 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
THRB
Tclin
Thyroid hormone receptor beta-1 (7926 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP3A4
Tclin
Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ATM
Tchem
Serine-protein kinase ATM (4198 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Lymphoblastoid cell (5959 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
KDM4A
Tchem
Lysine-specific demethylase 4A (52245 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ERG
Tbio
Transcriptional regulator ERG (5589 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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GMNN
Tbio
Geminin (128009 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CBX1
Tbio
Chromobox protein homolog 1 (92434 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rorc
Nuclear receptor ROR-gamma (89407 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504751417 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751417 |
| IUPAC Name | bis(2-ethylhexyl) hexanedioate |
| INCHI | InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | SAOKZLXYCUGLFA-UHFFFAOYSA-N |
| Smiles | CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC |
| Isomeric SMILES | CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC |
| WGK Germany | 1 |
| RTECS | AU9700000 |
| Molecular Weight | 370.57 |
| Beilstein | 1803774 |
| Reaxy-Rn | 1803774 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1803774&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2406099 |
Certificate of Analysis | Apr 25, 2024 | B103070 |
| H2406100 |
Certificate of Analysis | Apr 25, 2024 | B103070 |
| K2321400 |
Certificate of Analysis | Nov 30, 2023 | B103070 |
| I2301189 |
Certificate of Analysis | Sep 08, 2023 | B103070 |
| I2301190 |
Certificate of Analysis | Sep 08, 2023 | B103070 |
| H2321099 |
Certificate of Analysis | Aug 30, 2023 | B103070 |
| H2321084 |
Certificate of Analysis | Aug 25, 2023 | B103070 |
| H2321132 |
Certificate of Analysis | Aug 25, 2023 | B103070 |
| H2321085 |
Certificate of Analysis | Aug 25, 2023 | B103070 |
| H2321098 |
Certificate of Analysis | Aug 25, 2023 | B103070 |
| G2319072 |
Certificate of Analysis | Aug 04, 2023 | B103070 |
| C2301626 |
Certificate of Analysis | Nov 21, 2022 | B103070 |
| C2301627 |
Certificate of Analysis | Nov 21, 2022 | B103070 |
| C2301628 |
Certificate of Analysis | Nov 21, 2022 | B103070 |
| J2218300 |
Certificate of Analysis | Oct 20, 2022 | B103070 |
| J2218301 |
Certificate of Analysis | Oct 20, 2022 | B103070 |
| C2226224 |
Certificate of Analysis | Mar 11, 2022 | B103070 |
| H2301063 |
Certificate of Analysis | Mar 11, 2022 | B103070 |
| C2226231 |
Certificate of Analysis | Mar 11, 2022 | B103070 |
| C2226232 |
Certificate of Analysis | Mar 11, 2022 | B103070 |
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Chemical and Physical Properties
| Solubility | Soluble in alcohol. Insoluble in water. |
|---|---|
| Refractive Index | 1.4472 |
| Flash Point(°F) | 384.8℉ |
| Flash Point(°C) | 196℃ |
| Boil Point(°C) | 175°C |
| Melt Point(°C) | -67°C |
| Molecular Weight | 370.600 g/mol |
| XLogP3 | 6.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 19 |
| Exact Mass | 370.308 Da |
| Monoisotopic Mass | 370.308 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 320.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Alternative Products
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Bis(2-ethylhexyl)adipateStarting at $138.90
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