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CS-W001157 4
Total: USD 88.00

Oct-3-en-2-one

  • CAS No. 1669-44-9

  • Cat. No. CS-0199335
  • Purity≥97%
  • MDL No.None

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

Oct-3-en-2-one|CS-0199335

Structure of 1669-44-9

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General Information

  • CAS No. 1669-44-9
  • Cat. No. CS-0199335
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O
  • Molecular Weight 126.20
  • Synonym(s) 3-Octen-2-one
  • SMILES O=C(C=CCCCC)C

Synthesis

  • Route1
    • null|null
      110-62-3
    • null|null
      67-64-1
    • ~63%
    • Oct-3-en-2-one|CS-0199335
      1669-44-9

    References

    • Saito; Nakadai; Yamamoto Synlett, 2001 , # 8 p. 1245 - 1248
  • Route2
    • null|null
      111-66-0
    • ~54%
    • Oct-3-en-2-one|CS-0199335
      1669-44-9

    References

    • Wang, Yu-Fei; Gao, Ya-Ru; Mao, Shuai; Zhang, Yan-Lei; Guo, Dong-Dong; Yan, Zhao-Lei; Guo, Shi-Huan; Wang, Yong-Qiang Organic Letters, 2014 , vol. 16, # 6 p. 1610 - 1613
  • Route3
    • null|null
      17257-80-6
    • ~92%
    • Oct-3-en-2-one|CS-0199335
      1669-44-9

    References

    • Noujima, Akifumi; Mitsudome, Takato; Mizugaki, Tomoo; Jitsukawa, Koichiro; Kaneda, Kiyotomi Molecules, 2011 , vol. 16, # 10 p. 8209 - 8227

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.3218
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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