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CS-W001157 4
Total: USD 88.00

(2E)-2-Hexenoic Acid Methyl Ester

  • CAS No. 13894-63-8

  • Cat. No. CS-W013465
  • Purity≥97%
  • MDL No.MFCD00048798

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

(2E)-2-Hexenoic Acid Methyl Ester|CS-W013465

Structure of 13894-63-8

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General Information

  • CAS No. 13894-63-8
  • Cat. No. CS-W013465
  • Purity ≥97%
  • MDL No. MFCD00048798
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₂
  • Molecular Weight 128.17
  • Synonym(s) Methyl 2-hexenoate
  • SMILES CCC/C=C/C(OC)=O

Synthesis

  • Route1
    • In-stock
      trans-Hex-2-enoic acid|CS-W011247
      13419-69-7
    • null|null
      74-88-4
    • ~78%
    • In-stock
      (2E)-2-Hexenoic Acid Methyl Ester|CS-W013465
      13894-63-8

    References

    • Sato, Tsuneo; Otera, Junzo; Nozaki, Hitosi Journal of Organic Chemistry, 1992 , vol. 57, # 7 p. 2166 - 2169
  • Route2

    References

    • Choudary, Boyapati Manoranjan; Sharma, Gangavaram Vasantha Madhava; Bharathi, Patibandla Angewandte Chemie, 1989 , vol. 101, # 4 p. 506 - 507
  • Route3
    • In-stock
      methyl (triphenylphosphoranylidene)acetate|CS-0539499
      21204-67-1
    • null|null
      71-36-3
    • ~74%
    • In-stock
      (2E)-2-Hexenoic Acid Methyl Ester|CS-W013465
      13894-63-8
    • null|null
      13894-64-9

    References

    • Bressette, Andrew R.; Glover IV, Louis C. Synlett, 2004 , # 4 p. 738 - 740

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.5157
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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