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CS-W001157 4
Total: USD 88.00

3-Allylpentane-2,4-dione

  • CAS No. 3508-78-9

  • Cat. No. CS-0272294
  • Purity≥98%
  • MDL No.None

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

3-Allylpentane-2,4-dione|CS-0272294

Structure of 3508-78-9

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General Information

  • CAS No. 3508-78-9
  • Cat. No. CS-0272294
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₂
  • Molecular Weight 140.18
  • Synonym(s) 2,4-Pentanedione, 3-(2-propenyl)-
  • SMILES CC(C(CC=C)C(C)=O)=O

Synthesis

  • Route1
    • null|null
      591-87-7
    • null|null
      123-54-6
    • ~83%
    • 3-Allylpentane-2,4-dione|CS-0272294
      3508-78-9

    References

    • Ranu, Brindaban C.; Chattopadhyay, Kalicharan; Adak, Laksmikanta Organic Letters, 2007 , vol. 9, # 22 p. 4595 - 4598
  • Route2
    • null|null
      107-18-6
    • null|null
      123-54-6
    • ~52%
    • 3-Allylpentane-2,4-dione|CS-0272294
      3508-78-9

    References

    • Baruah, Jubaraj B.; Samuelson, Ashoka G. Journal of Organometallic Chemistry, 1989 , vol. 361, p. C57 - C60
  • Route3
    • null|null
      106-95-6
    • null|null
      123-54-6
    • ~92%
    • 3-Allylpentane-2,4-dione|CS-0272294
      3508-78-9

    References

    • Arumugam, Subramaniam; McLeod, Dale; Verkade, John G. Journal of Organic Chemistry, 1998 , vol. 63, # 11 p. 3677 - 3679

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.3567
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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