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CS-W001157 4
Total: USD 88.00

Chlorocholine chloride

  • CAS No. 999-81-5

  • Cat. No. CS-W008900
  • Purity≥98%
  • MDL No.MFCD00011869

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

Chlorocholine chloride|CS-W008900

Structure of 999-81-5

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General Information

  • CAS No. 999-81-5
  • Cat. No. CS-W008900
  • Purity ≥98%
  • MDL No. MFCD00011869
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₃Cl₂N
  • Molecular Weight 158.07
  • Synonym(s) None
  • SMILES ClCC[N+](C)(C)C.[Cl-]

Description

2,3-Butanediol is a chiral compound which is extensively utilized in chemical feedstocks and liquid fuels.2,3-Butanediol may be used as a reference standard for the determination of 2,3-butanediol in:Fino sherry wine by rotatory and continuous liquidliquid extraction (LLE) and headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC-MS). Cell cultures as well as fermentation broths by high performance anion-exchange chromatography with pulsed amperometric detection (HPAE-PAD). Cocoa (Theobroma cacao L.) by HS-SPME-GC-MS with principal component analysis (PCA). Vinegar samples by HS-SPME combined with GC-MS in electron impact ionization (EI+) mode.

Synthesis

  • Route1

    References

    • Sebestik, Jaroslav; Marques, Sergio M.; Fale, Pedro L.; Santos, Susana; Arduino, Daniela M.; Cardoso, Sandra M.; Oliveira, Catarina R.; Serralheiro, M. Luisa M.; Santos, M. Amelia Journal of Enzyme Inhibition and Medicinal Chemistry, 2011 , vol. 26, # 4 p. 485 - 497
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    • In-stock
      Chlorocholine chloride|CS-W008900
      999-81-5

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 59, # 6 p. 1401 - 1406,1243 - 1248
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      62-49-7
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    • In-stock
      Chlorocholine chloride|CS-W008900
      999-81-5

    References

    • Justus Liebigs Annalen der Chemie, , vol. 337, p. 56

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H311
Precautionary Statements : P264-P270-P280-P302+P352-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   -2.0646
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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