Cas no 65405-68-7 (3-(Hydroxymethyl)heptan-2-one)

3-(Hydroxymethyl)heptan-2-one structure
3-(Hydroxymethyl)heptan-2-one structure
Product Name:3-(Hydroxymethyl)heptan-2-one
CAS No:65405-68-7
MF:C8H16O2
MW:144.211442947388
CID:514261
PubChem ID:5362561
Update Time:2025-09-18

3-(Hydroxymethyl)heptan-2-one Chemical and Physical Properties

Names and Identifiers

    • 3-(Hydroxymethyl)heptan-2-one
    • 2-Heptanone,3-(hydroxymethyl)-
    • 1-Hydroxy-2-butyl-butanon-(3)
    • 3-(Hydroxymethyl)-2-heptanone
    • 3-hydroxymethyl-heptan-2-one
    • 3-Octanon-1-ol
    • AC1NSG1A
    • CTK8J8754
    • FEMA No. 2804
    • UNII-NWU4UN7SMJ
    • NWU4UN7SMJ
    • CHEBI:179943
    • Q27285085
    • AKOS016011286
    • 3-BUTYL-4-HYDROXY-2-BUTANONE
    • SCHEMBL3507038
    • NS00057034
    • 3-(HYDROXYMETHYL)-2-HEPTANONE, (+/-)-
    • LMFA05000623
    • 2-Heptanone, 3-(hydroxymethyl)-
    • DTXSID30867143
    • 3-OCTANON-1-OL [FHFI]
    • 65405-68-7
    • EINECS 265-739-5
    • SB84955
    • (+/-)-3-(HYDROXYMETHYL)-2-HEPTANONE
    • 3-HYDROXYMETHYL-2-HEPTANONE
    • DTXCID10815349
    • MHOXVRWQBOAOAU-UHFFFAOYSA-N
    • MDL: MFCD21604306
    • Inchi: 1S/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3
    • InChI Key: MHOXVRWQBOAOAU-UHFFFAOYSA-N
    • SMILES: OCC(C(C)=O)CCCC

Computed Properties

  • Exact Mass: 144.11508
  • Monoisotopic Mass: 144.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 99.4
  • 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: 1.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
  • FEMA: 2804 | 3-(HYDROXYMETHYL)-2-HEPTANONE

3-(Hydroxymethyl)heptan-2-one Pricemore >>

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