Cas no 13323-81-4 (1-Phenylethanol)

1-Phenylethanol structure
1-Phenylethanol structure
Product Name:1-Phenylethanol
CAS No:13323-81-4
MF:C8H10O
MW:122.164402484894
CID:86908
Update Time:2025-08-26

1-Phenylethanol Chemical and Physical Properties

Names and Identifiers

    • 1-Phenylethanol
    • (+/-)-1-Phenylethanol
    • ALPHA-METHYLBENZYL ALCOHOL
    • DL-1-Phenethylalcohol
    • 1-phenyl-1-hydroxyethane
    • 1-phenylethyl hydrogen terephthalate
    • methyl phenyl carbinol
    • sec-phenethyl alcohol
    • FEMA 2685
    • AURORA KA-7014
    • STYRENE ALCOHOL
    • PHENYLETHANOL,1-
    • STYRALYL ALCOHOL
    • STYRALLYL ALCOHOL
    • DL-1-PHENYLETHANOL
    • METHYLBENZYLALCOHOL
    • DL-STYRALYL ALCOHOL
    • Inchi： 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
    • InChI Key： WAPNOHKVXSQRPX-UHFFFAOYSA-N
    • SMILES： CC(C1C=CC=CC=1)O

Computed Properties

  • Exact Mass: 122.07300
  • Monoisotopic Mass: 122.073165
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 74.6
  • 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
  • XLogP3: 1.4
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Colorless mild liquid
  • Density: 1.012?g/mL?at 25?°C(lit.)
  • Melting Point: 19-20?°C(lit.)
  • Boiling Point: 204?°C745?mm Hg(lit.)
  • Flash Point: 185?°F
  • Refractive Index: n20/D 1.527(lit.)
  • PSA: 20.23000
  • LogP: 1.73990
  • Vapor Pressure: 0.1 mm Hg ( 20 °C)
  • Solubility: Not determined

1-Phenylethanol Security Information

  • Hazardous Material transportation number：UN 2937 6.1/PG 3
  • WGK Germany：1
  • Hazard Category Code： 22-38-41
  • Safety Instruction： 26-39
  • RTECS：DO9275000
  • Hazardous Material Identification： Xn
  • HazardClass：6.1
  • PackingGroup：III
  • Safety Term：6.1
  • Packing Group：III
  • Packing Group：III
  • Hazard Level：6.1

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