Cas no 111423-27-9 (2-Decanol,1,1,1-trifluoro-, (2S)-)

2-Decanol,1,1,1-trifluoro-, (2S)- structure
111423-27-9 structure
Product Name:2-Decanol,1,1,1-trifluoro-, (2S)-
CAS No:111423-27-9
MF:C10H19F3O
MW:212.252474069595
CID:129259
PubChem ID:10878470
Update Time:2025-04-18

2-Decanol,1,1,1-trifluoro-, (2S)- Chemical and Physical Properties

Names and Identifiers

    • 2-Decanol,1,1,1-trifluoro-, (2S)-
    • (S)-(-)-1,1,1-Trifluorodecan-2-ol
    • 1,1,1-trifluorodecan-2-ol
    • SCHEMBL8973192
    • FZHCYMPYGWJDQU-VIFPVBQESA-N
    • (R,S)-1,1,1-Trifluoro-decan-2-ol
    • 111423-27-9
    • (2S)-1,1,1-TRIFLUORODECAN-2-OL
    • (S)-1,1,1-Trifluorodecan-2-ol
    • (S)-(-)-1,1,1-Trifluorodecan-2-ol(>98%ee)
    • Inchi: 1S/C10H19F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9,14H,2-8H2,1H3/t9-/m0/s1
    • InChI Key: FZHCYMPYGWJDQU-VIFPVBQESA-N
    • SMILES: FC([C@H](CCCCCCCC)O)(F)F

Computed Properties

  • Exact Mass: 212.13900
  • Monoisotopic Mass: 212.13879971g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 134
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.7
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.021
  • Boiling Point: 66-67/4mm
  • Flash Point: 103.5°C
  • Refractive Index: 1.399
  • PSA: 20.23000
  • LogP: 3.66020

2-Decanol,1,1,1-trifluoro-, (2S)- Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • Safety Term:Hazard Codes XiHazard Note Irritant

2-Decanol,1,1,1-trifluoro-, (2S)- Pricemore >>

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(s)-1,1,1-Trifluorodecan-2-ol
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