Cas no 5923-02-4 (1-Pentyn-3-ol,4-methyl-1-phenyl-)

1-Pentyn-3-ol,4-methyl-1-phenyl- structure
5923-02-4 structure
Product Name:1-Pentyn-3-ol,4-methyl-1-phenyl-
CAS No:5923-02-4
MF:C12H14O
MW:174.238963603973
CID:365916
PubChem ID:138800
Update Time:2025-04-19

1-Pentyn-3-ol,4-methyl-1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1-Pentyn-3-ol,4-methyl-1-phenyl-
    • 4-METHYL-1-PHENYL-1-PENTYN-3-OL
    • 4-Methyl-1-phenyl-pent-1-in-3-ol
    • 4-methyl-1-phenyl-pent-1-yn-1-ol
    • 4-METHYL-1-PHENYL-PENT-1-YN-3-OL
    • isopropyl phenylethynyl carbinol
    • AKOS016031559
    • 6662-56-2
    • MFCD00041678
    • 5923-02-4
    • 1-PHENYL-4-METHYL-1-PENTYN-3-OL
    • DTXSID20985209
    • SCHEMBL617501
    • 1-PHENYL-4-METHYL-1-PENTYN-3-OL, 97%
    • 4-methyl-1-phenylpent-1-yn-3-ol
    • DB-363750
    • 1-Pentyn-3-ol, 4-methyl-1-phenyl-
    • Inchi: 1S/C12H14O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12-13H,1-2H3
    • InChI Key: KRXFLLINIVIGNG-UHFFFAOYSA-N
    • SMILES: OC(C#CC1C=CC=CC=1)C(C)C

Computed Properties

  • Exact Mass: 174.10400
  • Monoisotopic Mass: 174.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 200
  • 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: 2.8
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.3581?g/mL?at 25?°C
  • Flash Point: >110 °C
  • Refractive Index: n20/D 1.549
  • PSA: 20.23000
  • LogP: 2.05500

1-Pentyn-3-ol,4-methyl-1-phenyl- Security Information

  • Hazard Category Code: 22-36
  • Safety Instruction: S24/25
  • Hazardous Material Identification: Xn
  • Risk Phrases:R22; R36
  • Safety Term:S24/25

1-Pentyn-3-ol,4-methyl-1-phenyl- Pricemore >>

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