Cas no 5919-84-6 (Propanoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester)

Propanoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester structure
5919-84-6 structure
Product Name:Propanoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
CAS No:5919-84-6
MF:C9H18O3
MW:174.237423419952
CID:369309
PubChem ID:80016
Update Time:2025-04-19

Propanoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
    • (3-hydroxy-2,2-dimethylpropyl) 2-methylpropanoate
    • 3-hydroxy-2,2-dimethylpropyl isobutyrate
    • 2,2-dimethyl-3-hydroxypropyl 2-methylpropionate
    • 3-hydroxy-2,2-dimethylpropyl 2-methylpropano
    • AC1L2YKM
    • AC1Q62RU
    • AR-1F3515
    • CTK8D4980
    • EINECS 227-643-1
    • Hydroxyneopentylisobutyrat
    • isobutyric acid neopentyl glycol monoester
    • Neopentyl glycol monoisobutyrate
    • 3-hydroxy-2,2-dimethylpropyl 2-methylpropanoate
    • NS00047958
    • Propanoic acid, 2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
    • AI3-28488
    • DTXSID00863652
    • HNWHVVWRJAXEEC-UHFFFAOYSA-N
    • F73888
    • SCHEMBL1636727
    • 5919-84-6
    • DB-315445
    • Inchi： 1S/C9H18O3/c1-7(2)8(11)12-6-9(3,4)5-10/h7,10H,5-6H2,1-4H3
    • InChI Key： HNWHVVWRJAXEEC-UHFFFAOYSA-N
    • SMILES： O(C(C(C)C)=O)CC(C)(C)CO

Computed Properties

  • Exact Mass: 174.12564
  • Monoisotopic Mass: 174.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 150
  • 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
  • XLogP3: 1.7
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

Propanoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester Pricemore >>

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