Propanedioicacid, 2...

Propanedioicacid, 2-(phenylmethylene)-, 1,3-bis(2-ethylhexyl) ester(CAS No. 5468-28-0)

Propanedioicacid, 2-(phenylmethylene)-, 1,3-bis(2-ethylhexyl) ester(CAS No. 5468-28-0)

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Propanedioicacid, 2-(phenylmethylene)-, 1,3-bis(2-ethylhexyl) ester 5468-28-0 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
Propanedioicacid, 2-(phenylmethylene)-, 1,3-bis(2-ethylhexyl) ester
【Iupac name】
bis(2-ethylhexyl) 2-benzylidenepropanedioate
【CAS Registry number】
5468-28-0
【Synonyms】
Propanedioicacid, (phenylmethylene)-, bis(2-ethylhexyl) ester (9CI)
NSC 25385
Bis(2-ethylhexyl) benzylidenepropanedioate
【Molecular Formula】
C26H40O4 (Products with the same molecular formula)
【Molecular Weight】
416.5934
【Inchi】
InChI=1/C26H40O4/c1-5-9-14-21(7-3)19-29-25(27)24(18-23-16-12-11-13-17-23)26(28)30-20-22(8-4)15-10-6-2/h11-13,16-18,21-22H,5-10,14-15,19-20H2,1-4H3
【Canonical SMILES】
CCCCC(CC)COC(=O)C(=CC1=CC=CC=C1)C(=O)OCC(CC)CCCC
Chemical and Physical Properties
【Density】
0.995g/cm3
【Boiling Point】
480.1°Cat760mmHg
【Refractive Index】
1.505
【Flash Point】
225.9°C
【Computed Properties】
Molecular Weight:416.5934 [g/mol]
Molecular Formula:C26H40O4
XLogP3:8.7
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:17
Exact Mass:416.29266
MonoIsotopic Mass:416.29266
Topological Polar Surface Area:52.6
Heavy Atom Count:30
Formal Charge:0
Complexity:471
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

 

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