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Home> Encyclopedia > Hot Product Listed D   > Dodecanedioic acid,1,12-bis(2-ethylhexyl) ester
19074-24-9 structure

Dodecanedioic acid,1,12-bis(2-ethylhexyl) ester

Iupac Name:bis(2-ethylhexyl) dodecanedioate
CAS No.:19074-24-9
EINECS(EC#): 242-798-5
Molecular Weight:454.736
Molecular Formula:C28H54O4 (isomer)
Names and Identifiers
Synonyms

1,10-Decanedicarboxylic aciddi-2-ethylhexyl ester 1,12-bis(2-ethylhexyl) dodecanedioate 1,12-Dodecanedioic acid bis(2-ethylhexyl) ester AC1L1HCT acm19074249 ACMC-1BT6R AK397991 AKOS027382568 ANW-23505 Bis(2-ethylhexyl) 1,12-dodecanedioate bis(2-ethylhexyl) dodecanedioate BIS(2-ETHYLHEXYL) DODECANOATE brn 2165628 c-56502 CTK4E0469 di(2-ethylhexyl) dodecanedioate DIOCTYL DODECANEDIOATE dodecanedioic acid di(2-ethylhexyl) ester Dodecanedioic Acid Di(2-ethylhexyl) Ester Di(2-ethylhexyl) Dodecanedioate Dioctyl Dodecanedioate Dodecanedioic Acid Dioctyl Ester Dodecanedioic Acid Di(2-ethylhexyl) EsterDi(2-ethylhexyl) DodecanedioateDioctyl DodecanedioateDodecanedioic Acid Dioctyl Ester DODECANEDIOIC ACID DIOCTYL ESTER dodecanedioic acid, bis(2-ethylhexyl) ester dodecanedioic acid, bis(2-ethylhexyl)ester Dodecanedioicacid, bis(2-ethylhexyl) ester (6CI,7CI,8CI,9CI) Dodecanedioicacid,bis(2-ethylhexyl)ester einecs 242-798-5 FT-0768823 LS-63446 mfcd00144216 MTPSFISGWJGUGN-UHFFFAOYSA-N SCHEMBL2049701 TC-112250 W-110488

Inchi
InChI=1S/C28H54O4/c1-5-9-19-25(7-3)23-31-27(29)21-17-15-13-11-12-14-16-18-22-28(30)32-24-26(8-4)20-10-6-2/h25-26H,5-24H2,1-4H3
InChkey
MTPSFISGWJGUGN-UHFFFAOYSA-N
Canonical Smiles
CCCCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC
Properties
Density
0.912
Boiling Point
449.4°Cat760mmHg
Vapour
2.86E-08mmHg at 25°C
Refractive Index
1.454
Flash Point
199.5°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:454.736g/mol
  • Molecular Formula:C28H54O4
  • Compound Is Canonicalized:True
  • Exact Mass:454.402
  • Monoisotopic Mass:454.402
  • Complexity:395
  • Rotatable Bond Count:25
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:32
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCggAICCAAABAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAGIyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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