Cas no 1123-94-0 (Phenol,4-ethyl-3-methyl-)

Phenol,4-ethyl-3-methyl- structure
Phenol,4-ethyl-3-methyl- structure
Product Name:Phenol,4-ethyl-3-methyl-
CAS No:1123-94-0
MF:C9H12O
MW:136.190982818604
CID:184886
PubChem ID:70750
Update Time:2025-04-19

Phenol,4-ethyl-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Phenol,4-ethyl-3-methyl-
    • 4-ethyl-3-methylPhenol
    • 4-ethyl-m-cresol
    • 3-Methyl-4-ethylphenol
    • m-Cresol, 4-ethyl-
    • FT-0761488
    • DTXSID60149989
    • 1123-94-0
    • 6ORH4G6IU4
    • UNII-6ORH4G6IU4
    • MB23913
    • SCHEMBL2018825
    • EINECS 214-382-3
    • NS00023634
    • Q27265235
    • 4-ETHYL-3-METHYL-PHENOL
    • Phenol, 4-ethyl-3-methyl-
    • Inchi: 1S/C9H12O/c1-3-8-4-5-9(10)6-7(8)2/h4-6,10H,3H2,1-2H3
    • InChI Key: BUQNXFUMFXFRKC-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=C(C)C=1)CC

Computed Properties

  • Exact Mass: 136.08886
  • Monoisotopic Mass: 136.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 101
  • 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: 9
  • XLogP3: nothing
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • Density: 0.9809 (estimate)
  • Melting Point: 26°C
  • Boiling Point: 230°C
  • Flash Point: 104.4°C
  • Refractive Index: 1.5129 (estimate)
  • PSA: 20.23
  • LogP: 2.26300

Phenol,4-ethyl-3-methyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Molybdenum ,  Nickel ,  Sulfide Solvents: Hexadecane ;  5 h, 35 bar, 25 °C
Reference
Elucidating the role of NiMoS-USY during the hydrotreatment of Kraft lignin
Abdus Salam, Muhammad; Wayne Cheah, You; Hoang Ho, Phuoc; Bernin, Diana; Achour, Abdenour; et al, Chemical Engineering Journal (Amsterdam, 2022, 442,

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium ;  1 h, 350 °C; 4 h, 350 °C
Reference
Catalytic hydrotreatment of pyrolytic lignins from different sources to biobased chemicals: Identification of feed-product relations
Figueiredo, M. B.; Deuss, P. J.; Venderbosch, R. H.; Heeres, H. J., Biomass and Bioenergy, 2020, 134,

Phenol,4-ethyl-3-methyl- Raw materials

Phenol,4-ethyl-3-methyl- Preparation Products

Phenol,4-ethyl-3-methyl- Related Literature

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