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CS-W001157 4
Total: USD 88.00

trans-2-Heptenal

  • CAS No. 18829-55-5

  • Cat. No. CS-0185633
  • Purity≥94%
  • MDL No.MFCD00007010

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

trans-2-Heptenal|CS-0185633

Structure of 18829-55-5

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General Information

  • CAS No. 18829-55-5
  • Cat. No. CS-0185633
  • Purity ≥94%
  • MDL No. MFCD00007010
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O
  • Molecular Weight 112.17
  • Synonym(s) beta-Butylacrolein
  • SMILES CCCC/C=C/C=O

Synthesis

  • Route1
    • (E)-1-Iodohex-1-ene|CS-0752523
      16644-98-7
    • null|null
      201230-82-2
    • ~78%
    • In-stock
      trans-2-Heptenal|CS-0185633
      18829-55-5

    References

    • Journal of the American Chemical Society, , vol. 108, p. 452
  • Route2
    • trans-2-Hepten-1-ol|CS-0185682
      33467-76-4
    • ~83%
    • In-stock
      trans-2-Heptenal|CS-0185633
      18829-55-5

    References

    • Organic Letters, , vol. 15, # 20 p. 5150 - 5153
  • Route3
    • null|null
      16538-47-9
    • null|null
      201230-82-2
    • ~%
    • In-stock
      trans-2-Heptenal|CS-0185633
      18829-55-5
    • null|null
      57266-86-1

    References

    • Journal of the American Chemical Society, , vol. 108, p. 452

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS06
Signal Word : Danger
UN#: 1988
Class : 3 (6.1)
Packing Group : Ⅲ
Hazard Statements : H226-H302-H311-H317-H332
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P272-P280-P302+P352-P303+P361+P353-P304+P340-P330-P361+P364-P362+P364-P370+P378-P403+P235-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.9317
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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