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Basic Description
| Synonyms | DTXSID70228330 | AKOS028114726 | AS-61225 | butylene adipate | K085AS8U9A | UNII-K085AS8U9A | 1,6-DIOXACYCLODODECANE- 7,12-DION | Q27281769 | 1,6-DIOXACYCLODODECANE-7,12-DIONE | Adipic Acid Cyclic Tetramethylene Ester | EINECS 212-291-3 | AXKZIDYFAMKWSA-U |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Application： 1,6-Dioxacyclododecane-7,12-dione, is on of the Macrocyclic compounds. It can be used in the preparation of other Symmetrical cyclic diesters and dilactones. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
- Class Macrolides and analogues
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Superclass
Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Macrolides and analogues |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Macrolides and analogues |
| Alternative Parents | Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Macrolide - Dicarboxylic acid or derivatives - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504752422 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752422 |
| IUPAC Name | 1,6-dioxacyclododecane-7,12-dione |
| INCHI | InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2 |
| InChIKey | AXKZIDYFAMKWSA-UHFFFAOYSA-N |
| Smiles | C1CCC(=O)OCCCCOC(=O)C1 |
| Isomeric SMILES | C1CCC(=O)OCCCCOC(=O)C1 |
| Molecular Weight | 200.23 |
| Reaxy-Rn | 1344590 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1344590&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 |
|---|---|---|---|
 J2214376 |
Certificate of Analysis | Jun 05, 2022 | D333629 |
| J2214377 |
Certificate of Analysis | Jun 05, 2022 | D333629 |
| J2214700 |
Certificate of Analysis | Jun 05, 2022 | D333629 |
Chemical and Physical Properties
| Solubility | Soluble in chloroform, ethyl acetate, and methanol. |
|---|---|
| Refractive Index | n20D1.44 (Predicted) |
| Boil Point(°C) | ~422.3° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 90-93°C |
| Molecular Weight | 200.230 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 200.105 Da |
| Monoisotopic Mass | 200.105 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 178.000 |
| 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 |
Citations of This Product
| 1. Chuang-Chuang Zhao, Qin-Bao Lin, Cang-Hao Xie, Yi-Qi Liu, Huai-Ning Zhong, Wei-Yue Gu, David Julian McClements, Da Ma. (2024) Screening and safety assessment of migrating substances released from biodegradable packaging materials into milk. FOOD CONTROL, 166 (110755). |
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