Cas no 58072-60-9 (3-pentyn-2-ol)

3-pentyn-2-ol structure
3-pentyn-2-ol structure
Product Name:3-pentyn-2-ol
CAS No:58072-60-9
MF:C5H8O
MW:84.1164216995239
CID:948006
PubChem ID:57652676
Update Time:2025-04-19

3-pentyn-2-ol Chemical and Physical Properties

Names and Identifiers

    • 3-pentyn-2-ol
    • pent-3-yne-2-ol
    • rac-3-pentyn-2-ol
    • rac-pent-3-yn-2-ol
    • S982
    • 58072-60-9
    • JL-003-123
    • G29427
    • pent-3-yn-2-ol
    • CS-0264164
    • CMLDBU00000247
    • DTXSID50950026
    • 1-methyl-2-butyn-1-ol
    • SY318744
    • 27301-54-8
    • 3-Pentyn-2-ol, >=98.0% (GC)
    • DA-23259
    • MFCD00046652
    • EN300-92159
    • (R)-3-Pentyn-2-ol
    • MDL： MFCD00046652
    • Inchi： 1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3
    • InChI Key： HJFRLXPEVRXBQZ-UHFFFAOYSA-N
    • SMILES： OC(C#CC)C

Computed Properties

  • Exact Mass: 84.05750
  • Monoisotopic Mass: 84.057514874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 82.6
  • 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: 0.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 0.900?g/mL?at 20?°C(lit.)
  • Melting Point: -24.1°C (estimate)
  • Boiling Point: 138-140?°C(lit.)
  • Flash Point: Fahrenheit: 129.2 ° f
    Celsius: 54 ° c
  • Refractive Index: n20/D 1.448
  • PSA: 20.23000
  • LogP: 0.39050

3-pentyn-2-ol Security Information

  • Symbol: GHS02 GHS07
  • Signal Word：Warning
  • Hazard Statement： H226-H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：UN 1987 3/PG 3
  • WGK Germany：3
  • Hazard Category Code： 10-36/37/38
  • Safety Instruction： S26; S36
  • FLUKA BRAND F CODES：10-23
  • Hazardous Material Identification： Xi
  • Storage Condition：2-8°C
  • Risk Phrases：R10; R36/37/38

3-pentyn-2-ol Pricemore >>

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