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CS-W001157 4
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1-Allyl-3-methylbenzene

  • CAS No. 3333-20-8

  • Cat. No. CS-0267266
  • Purity≥98%
  • MDL No.None

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

1-Allyl-3-methylbenzene|CS-0267266

Structure of 3333-20-8

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General Information

  • CAS No. 3333-20-8
  • Cat. No. CS-0267266
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂
  • Molecular Weight 132.20
  • Synonym(s) m-Allyltoluene
  • SMILES C=CCC1=CC=CC(=C1)C

Synthesis

  • Route1
    • null|null
      591-17-3
    • null|null
      106-95-6
    • ~%
    • 1-Allyl-3-methylbenzene|CS-0267266
      3333-20-8

    References

    • Lin, Song; Song, Chun-Xiao; Cai, Gui-Xin; Wang, Wen-Hua; Shi, Zhang-Jie Journal of the American Chemical Society, 2008 , vol. 130, p. 12901 - 12903
  • Route2
    • null|null
      39835-02-4
    • ~%
    • 1-Allyl-3-methylbenzene|CS-0267266
      3333-20-8

    References

    • Rossi,R.A.; Bunnett,J.F. Journal of Organic Chemistry, 1973 , vol. 38, # 13 p. 2314 - 2318
  • Route3

    References

    • Nishiwaki, Nagatoshi; Kamimura, Ryuichiro; Shono, Kimihiro; Kawakami, Toshihiko; Nakayama, Katsuhisa; Nishino, Kohei; Nakayama, Takayuki; Takahashi, Keisuke; Nakamura, Aki; Hosokawa, Takahiro Tetrahedron Letters, 2010 , vol. 51, # 27 p. 3590 - 3592

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P270-P280-P330-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.72352
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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