Cas no 32398-69-9 (4-Heptyn-3-ol)

4-Heptyn-3-ol structure
4-Heptyn-3-ol structure
Product Name:4-Heptyn-3-ol
CAS No:32398-69-9
MF:C7H12O
MW:112.169582366943
MDL:MFCD00041592
CID:88965
PubChem ID:141704
Update Time:2025-04-18

4-Heptyn-3-ol Chemical and Physical Properties

Names and Identifiers

    • 4-Heptyn-3-ol
    • Ethyl 1-butynyl carbinol
    • hept-4-yn-3-ol
    • Hept-4-in-3-ol
    • rac-4-heptyn-3-ol
    • AKOS006227569
    • NSC 138595
    • FT-0618582
    • SCHEMBL4531676
    • NSC138595
    • FMOKAMXPKGORIR-UHFFFAOYSA-N
    • DTXSID901031300
    • MFCD00041592
    • 32398-69-9
    • NSC-138595
    • MDL: MFCD00041592
    • Inchi: 1S/C7H12O/c1-3-5-6-7(8)4-2/h7-8H,3-4H2,1-2H3
    • InChI Key: FMOKAMXPKGORIR-UHFFFAOYSA-N
    • SMILES: OC(C#CCC)CC
    • BRN: 1699582

Computed Properties

  • Exact Mass: 112.08900
  • Monoisotopic Mass: 112.088815
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 104
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.5
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Grayish yellow liquid
  • Density: 0.881
  • Melting Point: -20.62°C (estimate)
  • Boiling Point: 95°C 54mm
  • Flash Point: 62°C
  • Refractive Index: 1.4495
  • PSA: 20.23000
  • LogP: 1.17070
  • Solubility: Not determined
  • Vapor Pressure: 1.3±0.6 mmHg at 25°C

4-Heptyn-3-ol Security Information

4-Heptyn-3-ol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB105183-10 g
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abcr
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