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Bis(2-ethylhexyl) Suberate - >98.0%(GC), high purity , CAS No.5238-22-2
Basic Description
Synonyms | CS-0368297 | Suberic Acid Bis(2-ethylhexyl) Ester | Bis(2-ethylhexyl) Suberate | D92255 | SUBERICACIDDI(2-ETHYLHEXYL)ESTER | Octanedioic acid, bis(2-ethylhexyl) ester | di-(2-Ethylhexyl)suberate | Suberic Acid Dioctyl Ester | Bis(2-ethylhexyl) Suberate, > |
Specifications & Purity | ≥98% |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | bis(2-ethylhexyl) octanedioate |
INCHI | InChI=1S/C24H46O4/c1-5-9-15-21(7-3)19-27-23(25)17-13-11-12-14-18-24(26)28-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3 |
InChi Key | FTALILOVQKMLBH-UHFFFAOYSA-N |
Canonical SMILES | CCCCC(CC)COC(=O)CCCCCCC(=O)OCC(CC)CCCC |
Isomeric SMILES | CCCCC(CC)COC(=O)CCCCCCC(=O)OCC(CC)CCCC |
PubChem CID | 6452627 |
Molecular Weight | 398.63 |
Reaxy-Rn | 1998125 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index | 1.45 |
Flash Point(°C) | 180 °C |
Molecular Weight | 398.600 g/mol |
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XLogP3 | 7.900 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 21 |
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Exact Mass | 398.34 Da |
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Monoisotopic Mass | 398.34 Da |
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Topological Polar Surface Area | 52.600 Ų |
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Heavy Atom Count | 28 |
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Formal Charge | 0 |
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Complexity | 345.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 2 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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