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Bis(2-ethylhexyl) Isophthalate - >98.0%(GC), high purity , CAS No.137-89-3
Basic Description
Synonyms | Di-2-ethylhexyl isophthalate | Isophthalic acid, bis(2-ethylhexyl) ester | Dioctyl isophthalate | BIS(2-ETHYLHEXYL)ISOPHTHALATE | Flexol plasticizer 380 | DOIP | NSC 6358 | bis(2-ethylhexyl) benzene-1,3-dicarboxylate |
Specifications & Purity | ≥98%(GC) |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488180870 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180870 |
IUPAC Name | bis(2-ethylhexyl) benzene-1,3-dicarboxylate |
INCHI | InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3 |
InChi Key | WXZOXVVKILCOPG-UHFFFAOYSA-N |
Canonical SMILES | CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC |
Isomeric SMILES | CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC |
RTECS | NT2050000 |
PubChem CID | 8733 |
Molecular Weight | 390.56 |
Reaxy-Rn | 2162836 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index | 1.4860 to 1.4900 |
Flash Point(°C) | 233°C |
Boil Point(°C) | 211°C |
Molecular Weight | 390.600 g/mol |
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XLogP3 | 7.400 |
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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 | 16 |
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Exact Mass | 390.277 Da |
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Monoisotopic Mass | 390.277 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 | 396.000 |
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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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Safety and Hazards(GHS)
Pictogram(s) | GHS08, GHS09 |
Signal | Danger |
Hazard Statements | H400:Very toxic to aquatic life H360:May damage fertility or the unborn child |
Precautionary Statements | P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P501:Dispose of contents/container to ... P391:Collect spillage. P203:Obtain, read and follow all safety instructions before use. P318:if exposed or concerned, get medical advice. |
RTECS | NT2050000 |
Reaxy-Rn | 2162836 |
Class | 9 |
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