Cas no 7335-17-3 (3,5-Dimethyl-4-octanone, erythro + threo)

3,5-Dimethyl-4-octanone, erythro + threo structure
7335-17-3 structure
Product Name:3,5-Dimethyl-4-octanone, erythro + threo
CAS No:7335-17-3
MF:C10H20O
MW:156.265203475952
MDL:MFCD00027147
CID:85886
PubChem ID:545932
Update Time:2025-04-18

3,5-Dimethyl-4-octanone, erythro + threo Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dimethyl-4-octanone, erythro + threo
    • 3,5-Dimethyl-4-octanone
    • 3,5-dimethyloctan-4-one
    • 4-Octanone,3,5-dimethyl
    • SCHEMBL1482996
    • MFCD00027147
    • HIYIOWIWNUWNKQ-UHFFFAOYSA-N
    • FT-0636438
    • 7335-17-3
    • CS-0455383
    • 3,5-Dimethyl-4-octanone, erythro + threo, 98%
    • DTXSID00338017
    • DB-055752
    • DTXCID30289104
    • MDL: MFCD00027147
    • Inchi: 1S/C10H20O/c1-5-7-9(4)10(11)8(3)6-2/h8-9H,5-7H2,1-4H3
    • InChI Key: HIYIOWIWNUWNKQ-UHFFFAOYSA-N
    • SMILES: O=C(C(C)CC)C(C)CCC

Computed Properties

  • Exact Mass: 156.15100
  • Monoisotopic Mass: 156.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 118
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 3.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Color/Form: Not available
  • Density: 0.816
  • Boiling Point: 190.1°C at 760 mmHg
  • Flash Point: 54.1°C
  • Refractive Index: 1.418
  • PSA: 17.07000
  • LogP: 3.03780
  • Solubility: Not available

3,5-Dimethyl-4-octanone, erythro + threo Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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