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Diundecyl Phthalate (mixture of branched chain isomers) - >98.0%, high purity , CAS No.96507-86-7
Basic Description
Synonyms | DTXSID90242295 | Diisoundecyl phthalate | SCHEMBL36892 | bis(9-methyldecyl) benzene-1,2-dicarboxylate | diisoundecylphthalate | AKOS015889548 | 1,2-Benzenedicarboxylic acid, 1,2-diisoundecyl ester | EINECS 306-165-8 | NSC17081 | NSC-17081 | 1,2-Benzenedic |
Specifications & Purity | ≥98% |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488188492 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188492 |
IUPAC Name | bis(9-methyldecyl) benzene-1,2-dicarboxylate |
INCHI | InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3 |
InChi Key | LGBAGUMSAPUZPU-UHFFFAOYSA-N |
Canonical SMILES | CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C |
Isomeric SMILES | CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C |
Alternate CAS | 3648-20-2 |
PubChem CID | 175686 |
Molecular Weight | 474.73 |
Reaxy-Rn | 1894045 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility | Insoluble in water |
Refractive Index | 1.48 |
Flash Point(°F) | 239°C |
Flash Point(°C) | 239°C |
Boil Point(°C) | 267°C/3mmHg |
Molecular Weight | 474.700 g/mol |
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XLogP3 | 11.700 |
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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 | 22 |
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Exact Mass | 474.371 Da |
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Monoisotopic Mass | 474.371 Da |
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Topological Polar Surface Area | 52.600 Ų |
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Heavy Atom Count | 34 |
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Formal Charge | 0 |
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Complexity | 468.000 |
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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 | 0 |
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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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