Cas no 43152-88-1 (2-Methyloctanoyl chloride)

2-Methyloctanoyl chloride is a branched-chain acyl chloride with the molecular formula C?H??ClO. This compound is primarily used as an intermediate in organic synthesis, particularly in the preparation of esters, amides, and other derivatives through acylation reactions. Its branched alkyl chain enhances steric effects, which can influence reactivity and selectivity in chemical transformations. The product is typically characterized by its high purity and stability under controlled conditions, making it suitable for applications in pharmaceuticals, agrochemicals, and specialty chemicals. Proper handling is essential due to its moisture sensitivity and potential to release hydrogen chloride upon hydrolysis. Storage under inert conditions is recommended to maintain its integrity.
2-Methyloctanoyl chloride structure
2-Methyloctanoyl chloride structure
Product Name:2-Methyloctanoyl chloride
CAS No:43152-88-1
MF:C9H17ClO
MW:176.683682203293
CID:2638990
PubChem ID:12812232
Update Time:2025-10-29

2-Methyloctanoyl chloride Chemical and Physical Properties

Names and Identifiers

    • MFCD28362119
    • 43152-88-1
    • CCJDXXDUFBZVOK-UHFFFAOYSA-N
    • 2-Methyloctanoicacidchloride
    • (+)-2-methyloctanoic acid chloride
    • (+)-2-methyl octanoic acid chloride
    • (+)-2-methyl octanoyl chloride
    • SCHEMBL1409670
    • 2-methyloctanoyl chloride
    • 2-Methyl octanoic acid chloride
    • 2-Methyloctanoyl chloride
    • Inchi: 1S/C9H17ClO/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3
    • InChI Key: CCJDXXDUFBZVOK-UHFFFAOYSA-N
    • SMILES: ClC(C(C)CCCCCC)=O

Computed Properties

  • Exact Mass: 176.0967929Da
  • Monoisotopic Mass: 176.0967929Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 112
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 17.1?2

2-Methyloctanoyl chloride Pricemore >>

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