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Atomfair CID 160831570 C76H110O7 CAS 1802013-83-7

CID 160831570 (CAS: 1802013-83-7) is a high-purity phenolic compound with the molecular formula C76H110O7, comprising a mixture of isomeric butyl-substituted phenols. This complex blend includes 4-butan-2-yl-2,5-dimethylphenol , 4-butan-2-yl-2,6-dimethylphenol , 4-butan-2-yl-2-methylphenol , and positional isomers of butylphenol (2-, 3-, and 4-substituted). Its multi-component structure makes it valuable for advanced organic synthesis, material science research, and as a potential intermediate in specialty chemical production. The product is rigorously characterized by GC-MS, NMR, and HPLC to ensure batch-to-batch consistency, meeting the stringent requirements of pharmaceutical and polymer research applications. Supplied in amber glass vials under inert atmosphere to prevent oxidation.

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Description

CID 160831570 (CAS: 1802013-83-7) is a high-purity phenolic compound with the molecular formula C76H110O7, comprising a mixture of isomeric butyl-substituted phenols. This complex blend includes 4-butan-2-yl-2,5-dimethylphenol, 4-butan-2-yl-2,6-dimethylphenol, 4-butan-2-yl-2-methylphenol, and positional isomers of butylphenol (2-, 3-, and 4-substituted). Its multi-component structure makes it valuable for advanced organic synthesis, material science research, and as a potential intermediate in specialty chemical production. The product is rigorously characterized by GC-MS, NMR, and HPLC to ensure batch-to-batch consistency, meeting the stringent requirements of pharmaceutical and polymer research applications. Supplied in amber glass vials under inert atmosphere to prevent oxidation.

Properties

  • CAS Number: 1802013-83-7
  • Complexity: 758
  • IUPAC Name: 2,5-dimethyl-4-sec-butyl-phenol;2,6-dimethyl-4-sec-butyl-phenol;2-methyl-4-sec-butyl-phenol;2-sec-butylphenol;3-sec-butylphenol;4-sec-butylphenol
  • InChI: InChI=1S/2C12H18O.2C11H16O.3C10H14O/c1-5-8(2)11-6-10(4)12(13)7-9(11)3;1-5-8(2)11-6-9(3)12(13)10(4)7-11;2*1-4-8(2)10-5-6-11(12)9(3)7-10;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;1-3-8(2)9-6-4-5-7-10(9)11/h2*6-8,13H,5H2,1-4H3;2*5-8,12H,4H2,1-3H3;3*4-8,11H,3H2,1-2H3
  • InChI Key: SGWBYTCMEXVSFE-UHFFFAOYSA-N
  • Exact Mass: 1134.82515584
  • Molecular Formula: C76H110O7
  • Molecular Weight: 1135.7
  • SMILES: CCC(C)C1=CC=C(C=C1)O.CCC(C)C1=CC(=CC=C1)O.CCC(C)C1=CC(=C(C=C1)O)C.CCC(C)C1=CC(=C(C=C1)O)C.CCC(C)C1=CC=CC=C1O.CCC(C)C1=CC(=C(C(=C1)C)O)C.CCC(C)C1=C(C=C(C(=C1)C)O)C
  • Topological: 142
  • Monoisotopic Mass: 1134.82515584
  • Synonyms: 1802013-83-7, 4-Butan-2-yl-2,5-dimethylphenol;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol, 4-butan-2-yl-2,5-dimethylphenol

Application

CID 160831570 serves as a versatile building block in organic synthesis, particularly for creating sterically hindered phenol antioxidants. Researchers utilize its isomeric mixture to study structure-activity relationships in polymerization inhibitors. The compound shows potential as an intermediate for advanced material development, including high-performance resins and liquid crystal formulations. Its phenolic functionality makes it suitable for investigating antioxidant mechanisms in industrial applications.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

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