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CS-W001157 4
Total: USD 88.00

2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)

  • CAS No. 6846-50-0

  • Cat. No. CS-W012217
  • Purity≥98%
  • MDL No.MFCD00059267

*For research and further manufacturing use only, not for direct human use.

2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)|CS-W012217

Structure of 6846-50-0

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General Information

  • CAS No. 6846-50-0
  • Cat. No. CS-W012217
  • Purity ≥98%
  • MDL No. MFCD00059267
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₃₀O₄
  • Molecular Weight 286.41
  • Synonym(s) 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
  • SMILES CC(C)C(OC(C(C)C)=O)C(C)(C)COC(C(C)C)=O

Description

TXIB is also referred to as Eastman plasticizer. 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate (TXIB) is widely used in food packaging. Its toxicity has been assessed.2,2,4-Trimethyl-1,3-pentanediol diisobutyrate may be used as a plasticizer in the fabrication of highly plasticized polyvinyl chloride, crosslinked by gamma irradiation.

Synthesis

  • Route1
    • null|null
      78-84-2
    • ~37%
    • 3-Hydroxy-2,2,4-trimethylpentyl isobutyrate|CS-0644165
      77-68-9
    • In-stock
      2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)|CS-W012217
      6846-50-0
    • 3-Hydroxy-2,2-Dimethyl-1-(1-methylethyl)propyl isobutyrate|CS-0757161
      18491-15-1

    References

    • Villacorta, Gilberto M.; Filippo, Joseph San Journal of Organic Chemistry, 1983 , vol. 48, # 8 p. 1151 - 1154
  • Route2
    • null|null
      78-84-2
    • ~%
    • In-stock
      2,2,4-Trimethylpentane-1,3-diol|CS-W018223
      144-19-4
    • 3-Hydroxy-2,2,4-trimethylpentyl isobutyrate|CS-0644165
      77-68-9
    • In-stock
      2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)|CS-W012217
      6846-50-0
    • 3-Hydroxy-2,2-Dimethyl-1-(1-methylethyl)propyl isobutyrate|CS-0757161
      18491-15-1
    • null|null
      79-31-2

    References

    • Chemical Papers, , vol. 68, # 3 p. 422 - 426
  • Route3

    References

    • Justus Liebigs Annalen der Chemie, , vol. 756, p. 162 - 169

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H361-H412
Precautionary Statements : P273-P280-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   3.4356
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   7

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