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CS-W001157 4
Total: USD 88.00

2,2,3-Trimethylbut-3-enoic acid

  • CAS No. 4168-01-8

  • Cat. No. CS-0242406
  • Molecule weight128.17
  • Purity≥98%
  • MDL No.None

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

2,2,3-Trimethylbut-3-enoic acid|CS-0242406

Structure of 4168-01-8

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General Information

  • CAS No. 4168-01-8
  • Cat. No. CS-0242406
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₂
  • Molecular Weight 128.17
  • Synonym(s) 2,2,3-Trimethyl-but-3-ensaeure
  • SMILES C=C(C)C(C)(C)C(=O)O

Synthesis

  • Route1
    • null|null
      220264-25-5
    • ~83%
    • 2,2,3-Trimethylbut-3-enoic acid|CS-0242406
      4168-01-8

    References

    • Fraenkel, Gideon; Duncan, Joseph H.; Wang, Jinhai Journal of the American Chemical Society, 1999 , vol. 121, # 2 p. 432 - 443
  • Route2
    • null|null
      124-38-9
    • null|null
      513-81-5
    • ~36%
    • 2,2,3-Trimethylbut-3-enoic acid|CS-0242406
      4168-01-8

    References

    • Viktorov; Zubritskii Russian Journal of Organic Chemistry, 1999 , vol. 35, # 12 p. 1755 - 1765
  • Route3
    • null|null
      35293-39-1
    • ~92%
    • 2,2,3-Trimethylbut-3-enoic acid|CS-0242406
      4168-01-8

    References

    • Karpf, Martin Helvetica Chimica Acta, 1984 , vol. 67, # 1 p. 73 - 85

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H335
Precautionary Statements : P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.6733
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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