Cas no 12789-46-7 (Pentyl dihydrogen phosphate)

Pentyl dihydrogen phosphate structure
Pentyl dihydrogen phosphate structure
Product Name:Pentyl dihydrogen phosphate
CAS No:12789-46-7
MF:C5H13O4P
MW:168.128082990646
CID:48960
PubChem ID:61572
Update Time:2025-04-18

Pentyl dihydrogen phosphate Chemical and Physical Properties

Names and Identifiers

    • Pentyl dihydrogen phosphate
    • Phosphoric acid pentyl ester
    • AMYL ACID PHOSPHATE
    • Amyl hydrogen phosphate
    • Amyl phosphate.
    • Einecs 235-827-8
    • Un2819
    • Amyl acid phosphate [un2819] [corrosive]
    • Phosphoric acid, pentyl ester
    • EINECS 219-188-2
    • NSC-41913
    • SCHEMBL56778
    • DTXSID50862913
    • NS00083313
    • 2382-76-5
    • (pentyloxy)phosphonic acid
    • Monopentyl phosphate
    • Monoamyl phosphate
    • A854512
    • 12789-46-7
    • Phosphoric acid, monopentyl ester
    • phosphorous acid pentoxide
    • SY298998
    • Amyl acid phosphate [UN2819] [Corrosive]
    • NSC 41913
    • MFCD00058854
    • AKOS006275678
    • Amyl dihydrogen phosphate
    • Pentyl phosphate, (C5H11O)(OH)2PO
    • NSC41913
    • Inchi: 1S/C5H13O4P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)
    • InChI Key: NVTPMUHPCAUGCB-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(O)OCCCCC

Computed Properties

  • Exact Mass: 168.05500
  • Monoisotopic Mass: 168.055
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 119
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.8A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 285.6°Cat760mmHg
  • Flash Point: 126.5°C
  • Refractive Index: 1.452
  • PSA: 76.57000
  • LogP: 1.28590

Pentyl dihydrogen phosphate Security Information

  • Hazardous Material transportation number:UN 2819
  • HazardClass:8
  • PackingGroup:III
  • Packing Group:III
  • Packing Group:III
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