Cas no 2040-01-9 (2',3',4',5',6'-Pentamethylacetophenone)

2',3',4',5',6'-Pentamethylacetophenone structure
2040-01-9 structure
Product Name:2',3',4',5',6'-Pentamethylacetophenone
CAS No:2040-01-9
MF:C13H18O
MW:190.281424045563
CID:84081
Update Time:2025-04-18

2',3',4',5',6'-Pentamethylacetophenone Chemical and Physical Properties

Names and Identifiers

    • 2',3',4',5',6'-Pentamethylacetophenone
    • 2,3,4,5,6-Pentamethylacetophenone
    • 1-(2,3,4,5,6-PENTAMETHYLPHENYL)ETHAN-1-ONE
    • 1-Pentamethylphenyl-aethanon
    • 1-pentamethylphenyl-ethanone
    • 2′,3′,4′,5′,6′-Pentamethylacetophenone
    • Acetylpentamethylbenzene
    • Pentamethylacetophenone
    • Inchi： 1S/C13H18O/c1-7-8(2)10(4)13(12(6)14)11(5)9(7)3/h1-6H3
    • InChI Key： CTTYWXDVWGKHKJ-UHFFFAOYSA-N
    • SMILES： O=C(C)C1C(C)=C(C)C(C)=C(C)C=1C
    • BRN： 1867535

Computed Properties

  • Exact Mass: 190.13600
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 205
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 3.4
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: solid
  • Melting Point: 84-86?°C(lit.)
  • PSA: 17.07000
  • LogP: 3.43120
  • Solubility: Not determined

2',3',4',5',6'-Pentamethylacetophenone Security Information

  • WGK Germany：3
  • Safety Instruction： S22-S24/25
  • Safety Term：S22;S24/25

2',3',4',5',6'-Pentamethylacetophenone Customs Data

  • HS CODE：2914399090
  • Customs Data：

    China Customs Code:

    2914399090

    Overview:

    2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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