Cas no 2901-15-7 (Benzeneacetic acid, a,a-dibutyl-, ethyl ester)

Benzeneacetic acid, a,a-dibutyl-, ethyl ester structure
2901-15-7 structure
Product Name:Benzeneacetic acid, a,a-dibutyl-, ethyl ester
CAS No:2901-15-7
MF:C18H28O2
MW:276.413725852966
CID:273896
PubChem ID:257800
Update Time:2025-04-19

Benzeneacetic acid, a,a-dibutyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a,a-dibutyl-, ethyl ester
    • ethyl 2-butyl-2-phenylhexanoate
    • 2,2-n-Dibutyl-phenylessigsaeureethylester
    • 2-butyl-2-phenyl-hexanoic acid ethyl ester
    • 2-Butyl-2-phenyl-hexansaeure-aethylester
    • 5-Phenyl-nonan-carbonsaeure-(5)-ethylester
    • AC1L5XJW
    • AC1Q63WY
    • AG-J-97837
    • AR-1I8341
    • CTK4G2566
    • ethyl 2-butyl-2-phenylhaxanoate
    • ETHYL 2-BUTYL-2-PHENYL-HEXANOATE
    • NSC86385
    • 2901-15-7
    • NSC-86385
    • DTXSID90292896
    • Inchi： 1S/C18H28O2/c1-4-7-14-18(15-8-5-2,17(19)20-6-3)16-12-10-9-11-13-16/h9-13H,4-8,14-15H2,1-3H3
    • InChI Key： QBTRDZKCYHZFPG-UHFFFAOYSA-N
    • SMILES： O(CC)C(C(C1C=CC=CC=1)(CCCC)CCCC)=O

Computed Properties

  • Exact Mass: 276.20904
  • Monoisotopic Mass: 276.209
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 10
  • Complexity: 259
  • 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
  • XLogP3: 5.9
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 0.947
  • Boiling Point: 352.2°Cat760mmHg
  • Flash Point: 104.3°C
  • Refractive Index: 1.484
  • PSA: 26.3
  • LogP: 4.86790

Benzeneacetic acid, a,a-dibutyl-, ethyl ester Related Literature

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