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CS-W001157 4
Total: USD 88.00

2-Benzyl-3-hydroxypropyl acetate

  • CAS No. 90107-01-0

  • Cat. No. CS-M1748
  • Purity≥95%
  • MDL No.None

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

2-Benzyl-3-hydroxypropyl acetate|CS-M1748

Structure of 90107-01-0

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General Information

  • CAS No. 90107-01-0
  • Cat. No. CS-M1748
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₃
  • Molecular Weight 208.25
  • Synonym(s) 1,3-Propanediol, 2-(phenylmethyl)-, 1-acetate
  • SMILES OCC(COC(C)=O)CC1=CC=CC=C1

Synthesis

  • Route1
    • 2-Benzyl-1,3-propanediol|CS-M1742
      2612-30-8
    • null|null
      75-36-5
    • ~46%
    • 2-Benzyl-3-hydroxypropyl acetate|CS-M1748
      90107-01-0

    References

    • Mirilashvili, Sima; Chasid-Rubinstein, Naama; Albeck, Amnon European Journal of Organic Chemistry, 2008 , # 20 p. 3461 - 3464
  • Route2
    • null|null
      1445-45-0
    • 2-Benzyl-1,3-propanediol|CS-M1742
      2612-30-8
    • ~98%
    • 2-Benzyl-3-hydroxypropyl acetate|CS-M1748
      90107-01-0

    References

    • Lee, Jeewoo; Lee, Jiyoun; Kim, Jiyoung; Kim, Soo Yeon; Chun, Moon Woo; Cho, Hawon; Hwang, Sun Wook; Oh, Uhtaek; Park, Young Ho; Marquez, Victor E.; Beheshti, Maryam; Szabo, Tamas; Blumberg, Peter M. Bioorganic and Medicinal Chemistry, 2001 , vol. 9, # 1 p. 19 - 32
  • Route3

    References

    • Lee, Jeewoo; Lee, Jiyoun; Kim, Jiyoung; Kim, Soo Yeon; Chun, Moon Woo; Cho, Hawon; Hwang, Sun Wook; Oh, Uhtaek; Park, Young Ho; Marquez, Victor E.; Beheshti, Maryam; Szabo, Tamas; Blumberg, Peter M. Bioorganic and Medicinal Chemistry, 2001 , vol. 9, # 1 p. 19 - 32

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.4007
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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