Cas no 1218-89-9 (4,4'-Dimethylbenzoin)

4,4'-Dimethylbenzoin structure
4,4'-Dimethylbenzoin structure
Product Name:4,4'-Dimethylbenzoin
CAS No:1218-89-9
MF:C16H16O2
MW:240.297044754028
MDL:MFCD00008555
CID:181689
PubChem ID:224848
Update Time:2025-04-19

4,4'-Dimethylbenzoin Chemical and Physical Properties

Names and Identifiers

    • Ethanone,2-hydroxy-1,2-bis(4-methylphenyl)-
    • 2-Hydroxy-1,2-di-p-tolylethanone
    • 4,4'-Dimethylbenzoin
    • )-2-hydroxy-1,2-bis(4-methylphenyl)ethan-1-one
    • 1,2-bis(4-methylphenyl)-2-hydroxyethan-1-one
    • 1,2-bis-[4-(methyl)-phenyl]-2-hydroxyethanone
    • 2-hydroxy-1,2-bis(4-methylphenyl)ethane-1-one
    • 2-Hydroxy-1,2-bis(4-methylphenyl)ethanone
    • 4,4''-DIMETHYLBENZOIN
    • Dimethylbenzoin
    • p-Toluoin
    • Toluoin
    • 2-hydroxy-1,2-bis(4-methylphenyl)ethan-1-one
    • NBYSFWKNMLCZLO-UHFFFAOYSA-N
    • NSC13677
    • 4.4'-dimethylbenzoin
    • 4,4'-(Dimethylbenzoin)
    • Ethanone, 2-hydroxy-1,2-bis(4-methylphenyl)-, (S)-
    • Oprea1_520484
    • NBYSFWKNMLCZLO-UHFFFAOYSA-
    • 2-hydroxy-1,2-dip-tolylethanone
    • HMS1732M10
    • SBB055269
    • 1
    • CS-0214682
    • AE-562/40897037
    • Z87002240
    • NSC-13677
    • Ethanone, 2-hydroxy-1,2-bis(4-methylphenyl)-
    • AKOS001115837
    • D1881
    • 2-Hydroxy-1,2-bis(4-methylphenyl)ethanone #
    • SCHEMBL66875
    • MFCD00008555
    • D89940
    • 4,4/'-Dimethylbenzoin
    • 1218-89-9
    • AKOS016038121
    • AS-66197
    • FT-0770024
    • EN300-18662
    • InChI=1/C16H16O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15,17H,1-2H3
    • 4,4-DIMETHYLBENZOIN
    • MDL: MFCD00008555
    • Inchi: 1S/C16H16O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15,17H,1-2H3
    • InChI Key: NBYSFWKNMLCZLO-UHFFFAOYSA-N
    • SMILES: OC(C(C1C=CC(C)=CC=1)=O)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 240.11500
  • Monoisotopic Mass: 240.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 271
  • 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
  • Surface Charge: 0
  • Tautomer Count: 46
  • XLogP3: 2.9
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 87.0 to 89.0 deg-C
  • Boiling Point: 210°C/1mmHg(lit.)
  • PSA: 37.30000
  • LogP: 3.21970
  • Solubility: Not determined

4,4'-Dimethylbenzoin Security Information

4,4'-Dimethylbenzoin 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%

4,4'-Dimethylbenzoin Pricemore >>

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SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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Enamine
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4,4'-Dimethylbenzoin Related Literature

  • 1. Electric dipole moments and molecular conformations of benzophenones, benzils, benzhydrols, and benzoins
    C. W. N. Cumper,A. P. Thurston J. Chem. Soc. Perkin Trans. 2 1972 106
  • 2. Transition-metal dithiolene complexes. Part XIII. Nitric oxide adducts of iron bis(diaryl-1,2-dithiolenes)
    J. A. McCleverty,B. Ratcliff J. Chem. Soc. A 1970 1627
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