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Basic Description
| Synonyms | D-931 | hexanedioic acid bis-(2-butoxy-ethyl) ester | EINECS 205-466-0 | Plasthall 203 | E78814 | Bis(2-butoxyethyl) adipate | Adipic Acid Bis(2-butoxyethyl) Ester | Di(2-butoxyethyl) adipate | Sunkonol 0862-0 | Adipol BCA | SCHEMBL220837 | Adipic acid, d |
|---|---|
| Specifications & Purity | ≥97% |
| 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 Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Ether - Dialkyl ether - 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 | Not available |
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Names and Identifiers
| Pubchem Sid | 488180890 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180890 |
| IUPAC Name | bis(2-butoxyethyl) hexanedioate |
| INCHI | InChI=1S/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3 |
| InChIKey | IHTSDBYPAZEUOP-UHFFFAOYSA-N |
| Smiles | CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC |
| Isomeric SMILES | CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC |
| RTECS | AU8450000 |
| Molecular Weight | 346.46 |
| Beilstein | 2(4)1968 |
| Reaxy-Rn | 1803966 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1803966&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 |
|---|---|---|---|
 F2301259 |
Certificate of Analysis | May 08, 2023 | B153100 |
| F2301252 |
Certificate of Analysis | May 08, 2023 | B153100 |
| F2301199 |
Certificate of Analysis | May 08, 2023 | B153100 |
| F2301263 |
Certificate of Analysis | May 08, 2023 | B153100 |
| F2301261 |
Certificate of Analysis | May 08, 2023 | B153100 |
| F2301262 |
Certificate of Analysis | May 08, 2023 | B153100 |
| F2301258 |
Certificate of Analysis | May 08, 2023 | B153100 |
| F2301260 |
Certificate of Analysis | May 08, 2023 | B153100 |
| F2301201 |
Certificate of Analysis | May 08, 2023 | B153100 |
Chemical and Physical Properties
| Solubility | Insoluble in water; Soluble in Ethanol,Acetone,Toluene |
|---|---|
| Refractive Index | 1.44 |
| Flash Point(°F) | 199°C(lit.) |
| Flash Point(°C) | 199°C(lit.) |
| Boil Point(°C) | 217°C/11mmHg(lit.) |
| Melt Point(°C) | -34°C(lit.) |
| Molecular Weight | 346.500 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 19 |
| Exact Mass | 346.236 Da |
| Monoisotopic Mass | 346.236 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 276.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| 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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