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CS-W001157 4
Total: USD 88.00

Ethyl butyrylacetate

  • CAS No. 3249-68-1

  • Cat. No. CS-W016203
  • Purity≥96%
  • MDL No.MFCD00009401

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

Ethyl butyrylacetate|CS-W016203

Structure of 3249-68-1

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General Information

  • CAS No. 3249-68-1
  • Cat. No. CS-W016203
  • Purity ≥96%
  • MDL No. MFCD00009401
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.20
  • Synonym(s) Ethyl 3-oxohexanoate
  • SMILES O=C(OCC)CC(CCC)=O

Description

Ethyl butyrylacetate is a versatile β-keto ester featuring a conjugated enone system and a terminal ethyl ester group. This molecule integrates readily into Michael additions and Claisen condensations, offering stable access to complex carbonyl architectures under standard conditions.

Synthesis

  • Route1
    • In-stock
      Meldrum's acid|CS-D1154
      2033-24-1
    • null|null
      141-75-3
    • ~%
    • In-stock
      Ethyl butyrylacetate|CS-W016203
      3249-68-1

    References

    • WO2010/13222 A1, ; Page/Page column 65 ; WO 2010/013222 A1
  • Route2
    • In-stock
      Meldrum's acid|CS-D1154
      2033-24-1
    • null|null
      64-17-5
    • null|null
      141-75-3
    • ~%
    • In-stock
      Ethyl butyrylacetate|CS-W016203
      3249-68-1

    References

    • Sharma, Lalima; Sattigeri, Jitendra A.; Kumar, Narest; Yadav, Ajay; Momim, Rijwan; Ahmed, Shahadat; Cliffe, Ian A.; Bhatnagar, Pradip Kumar; Ghosh, Sanjay; Raj, V. Samuel; Upadhyay, Dilip J. Patent: US2012/108565 A1, 2012 ; Location in patent: Paragraph 0432; 0433 ;
  • Route3
    • null|null
      623-73-4
    • null|null
      123-72-8
    • ~93%
    • In-stock
      Ethyl butyrylacetate|CS-W016203
      3249-68-1

    References

    • Balaji; Chanda, Bhanu M. Tetrahedron, 1998 , vol. 54, # 43 p. 13237 - 13252

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H302+H312+H332
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.3088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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