Cas no 90162-44-0 ((±)-1-Phenylethan-1,2,2,2-d4-ol)

(±)-1-Phenylethan-1,2,2,2-d4-ol structure
90162-44-0 structure
Product Name:(±)-1-Phenylethan-1,2,2,2-d4-ol
CAS No:90162-44-0
MF:C8H10O
MW:126.189049243927
CID:803712
PubChem ID:24881240
Update Time:2025-04-19

(±)-1-Phenylethan-1,2,2,2-d4-ol Chemical and Physical Properties

Names and Identifiers

    • Benzenemethan-d-ol, a-(methyl-d3)-
    • (+/-)-1-Phenylethan-1,2,2,2-d4-ol
    • SCHEMBL1331233
    • 1-Phenylethan-1,2,2,2-d4-ol, 98 atom % D
    • DTXSID20575821
    • 1-Phenyl(~2~H_4_)ethan-1-ol
    • 90162-44-0
    • D98356
    • 1-Phenylethan-1,2,2,2-d4-ol
    • 1,2,2,2-tetradeuterio-1-phenylethanol
    • (±)-1-Phenylethan-1,2,2,2-d4-ol
    • MDL: MFCD00084169
    • Inchi: 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i1D3,7D
    • InChI Key: WAPNOHKVXSQRPX-CWIRFKENSA-N
    • SMILES: OC([2H])(C([2H])([2H])[2H])C1C=CC=CC=1

Computed Properties

  • Exact Mass: 126.098271922g/mol
  • Monoisotopic Mass: 126.098271922g/mol
  • Isotope Atom Count: 4
  • 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: 1.045?g/mL?at 25?°C
  • Melting Point: 19-20?°C
  • Boiling Point: 204?°C/745?mmHg
  • Flash Point: Fahrenheit: 186.8 ° f < br / > Celsius: 86 ° C < br / >
  • PSA: 20.23000
  • LogP: 1.73990

(±)-1-Phenylethan-1,2,2,2-d4-ol Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H302-H315-H318
  • Warning Statement: P280-P305+P351+P338
  • Hazardous Material transportation number:UN 2937 6.1 / PGIII
  • WGK Germany:1
  • Hazard Category Code: 22-38-41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xn

(±)-1-Phenylethan-1,2,2,2-d4-ol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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M226189-10mg
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$ 64.00 2023-09-07
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M226189-50mg
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M226189-100mg
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