Propanedioic acid,2...

Propanedioic acid,2-(2-methylpropylidene)-, 1,3-bis(2-ethylhexyl) ester(CAS No. 5468-27-9)

Propanedioic acid,2-(2-methylpropylidene)-, 1,3-bis(2-ethylhexyl) ester(CAS No. 5468-27-9)

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Propanedioic acid,2-(2-methylpropylidene)-, 1,3-bis(2-ethylhexyl) ester 5468-27-9 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
Propanedioic acid,2-(2-methylpropylidene)-, 1,3-bis(2-ethylhexyl) ester
【Iupac name】
bis(2-ethylhexyl) 2-(2-methylpropylidene)propanedioate
【CAS Registry number】
5468-27-9
【Synonyms】
Propanedioicacid, (2-methylpropylidene)-, bis(2-ethylhexyl) ester (9CI)
NSC 25383
【Molecular Formula】
C23H42 O4 (Products with the same molecular formula)
【Molecular Weight】
382.5772
【Inchi】
InChI=1/C23H42O4/c1-7-11-13-19(9-3)16-26-22(24)21(15-18(5)6)23(25)27-17-20(10-4)14-12-8-2/h15,18-20H,7-14,16-17H2,1-6H3
【Canonical SMILES】
CCCCC(CC)COC(=O)C(=CC(C)C)C(=O)OCC(CC)CCCC
Chemical and Physical Properties
【Density】
0.933g/cm3
【Boiling Point】
422.4°Cat760mmHg
【Refractive Index】
1.458
【Flash Point】
192.3°C
【Computed Properties】
Molecular Weight:382.57718 [g/mol]
Molecular Formula:C23H42O4
XLogP3-AA:8
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:17
Exact Mass:382.30831
MonoIsotopic Mass:382.30831
Topological Polar Surface Area:52.6
Heavy Atom Count:27
Formal Charge:0
Complexity:406
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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