Cas no 10522-02-8 (1,2-Ethanediol, 1-phenyl-, 1-acetate)

1,2-Ethanediol, 1-phenyl-, 1-acetate structure
10522-02-8 structure
Product Name:1,2-Ethanediol, 1-phenyl-, 1-acetate
CAS No:10522-02-8
MF:C10H12O3
MW:180.200483322144
CID:1151188
PubChem ID:112060
Update Time:2025-04-20

1,2-Ethanediol, 1-phenyl-, 1-acetate Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol, 1-phenyl-, 1-acetate
    • Acetic acid α-(hydroxymethyl)benzyl ester
    • 2-Acetoxy-2-phenylethanol
    • β-Acetoxyphenethyl alcohol
    • 1-Phenyl-1,2-ethanediol 1-acetate
    • Acetic acid 1-phenyl-2-hydroxyethyl ester
    • EINECS 247-040-7
    • 25496-77-9
    • 2-Acetoxy-2-phenylathan-1-ol
    • LOLNQOPVHRAGHR-UHFFFAOYSA-N
    • 2-Hydroxy-1-phenylethyl acetate
    • Acetic acid alpha-(hydroxymethyl)benzyl ester
    • DB-365132
    • 10522-02-8
    • NS00050413
    • SCHEMBL8467351
    • (2-hydroxy-1-phenylethyl) acetate
    • DTXSID20884485
    • Inchi: 1S/C10H12O3/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3
    • InChI Key: LOLNQOPVHRAGHR-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C(CO)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 180.07866
  • Monoisotopic Mass: 180.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 162
  • 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
  • XLogP3: 1
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
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