Cas no 63876-46-0 (1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)-)

1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)- structure
63876-46-0 structure
Product Name:1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)-
CAS No:63876-46-0
MF:C10H12O3
MW:180.200483322144
MDL:MFCD00010818
CID:519074
PubChem ID:592157
Update Time:2025-04-19

1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)-
    • 1-(2,4-dihydroxy-3-methylphenyl)propan-1-one
    • 2 ,4 -Dihydroxy-3 -methylpropiophenone
    • NULL
    • 1-(2,4-Dihydroxy-3-methylphenyl)-1-propanone
    • 1-(2,4-Dihydroxy-3-methyl-phenyl)-propan-1-on
    • 1-(2,4-dihydroxy-3-methyl-phenyl)-propan-1-one
    • 2',4'-Dihydroxy-3'-methylpropiophenone
    • MDL: MFCD00010818
    • Inchi: 1S/C10H12O3/c1-3-8(11)7-4-5-9(12)6(2)10(7)13/h4-5,12-13H,3H2,1-2H3
    • InChI Key: VSJSCDVYCXQGAX-UHFFFAOYSA-N
    • SMILES: OC1C(C)=C(C=CC=1C(CC)=O)O

Computed Properties

  • Exact Mass: 180.07900
  • Monoisotopic Mass: 180.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 191
  • 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: 21
  • XLogP3: 2.3
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Color/Form: Brown crystalline powder
  • Density: 1.1272 (rough estimate)
  • Melting Point: 124-130 °C
  • Boiling Point: 273.02°C (rough estimate)
  • Flash Point: 179.7 °C
  • Refractive Index: 1.5110 (estimate)
  • PSA: 57.53000
  • LogP: 1.99890
  • Solubility: Not determined

1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)- Security Information

  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S37-S39
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)- Customs Data

  • HS CODE:2914400090
  • Customs Data:

    China Customs Code:

    2914400090

    Overview:

    2914400090 Other ketone alcohols and ketone aldehydes.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

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

    Summary:

    2914400090 other ketone-alcohols and ketone-aldehydes.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)- Pricemore >>

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