Cas no 3101-96-0 ((±)-1-Phenylethan-1-d1-ol)

(±)-1-Phenylethan-1-d1-ol structure
(±)-1-Phenylethan-1-d1-ol structure
Product Name:(±)-1-Phenylethan-1-d1-ol
CAS No:3101-96-0
MF:C8H10O
MW:123.170564174652
CID:294815
PubChem ID:15618812
Update Time:2025-04-19

(±)-1-Phenylethan-1-d1-ol Chemical and Physical Properties

Names and Identifiers

    • Benzenemethan-d-ol, a-methyl-
    • J-018223
    • 1-Deuterio-1-phenylethanol
    • sec-Phenethyl-alpha-d1 alcohol
    • 3101-96-0
    • 1-Phenylethan-1-d1-ol, 98 atom % D
    • DTXSID90575818
    • SCHEMBL1330048
    • 1-Phenyl(1-~2~H)ethan-1-ol
    • D98825
    • monodeuteriophenylethanol
    • 1-Phenylethan-1-d1-ol
    • (±)-1-Phenylethan-1-d1-ol
    • Inchi: 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i7D
    • InChI Key: WAPNOHKVXSQRPX-WHRKIXHSSA-N
    • SMILES: OC([2H])(C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 123.079441684g/mol
  • Monoisotopic Mass: 123.079441684g/mol
  • Isotope Atom Count: 1
  • 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
  • XLogP3: 1.4
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.020?g/mL?at 25?°C
  • Melting Point: 19-20?°C(lit.)
  • Boiling Point: 204?°C745?mm Hg(lit.)
  • Flash Point: 86?°C
  • PSA: 20.23000
  • LogP: 1.73990

(±)-1-Phenylethan-1-d1-ol 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
  • Hazardous Material Identification: Xn
  • Risk Phrases:22-38-41

(±)-1-Phenylethan-1-d1-ol Pricemore >>

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