Cas no 58921-10-1 (Hexanoic acid,2-ethyl-, 2-hydroxypropyl ester)

Hexanoic acid,2-ethyl-, 2-hydroxypropyl ester structure
58921-10-1 structure
Product Name:Hexanoic acid,2-ethyl-, 2-hydroxypropyl ester
CAS No:58921-10-1
MF:C11H22O3
MW:202.290584087372
MDL:MFCD23142769
CID:374622
PubChem ID:23497921
Update Time:2025-04-19

Hexanoic acid,2-ethyl-, 2-hydroxypropyl ester Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid,2-ethyl-, 2-hydroxypropyl ester
    • 2-hydroxypropyl 2-ethylhexanoate
    • 2-hydroxypropan-2-yl 2-ethylhexanoate
    • 58921-10-1
    • AS-78449
    • DTXSID50866719
    • Hexanoic acid, 2-ethyl-, 2-hydroxypropyl ester
    • D93540
    • NS00055638
    • MFCD23142769
    • SCHEMBL2316277
    • W-111157
    • RCYYLBZELJCFBT-UHFFFAOYSA-N
    • MDL: MFCD23142769
    • Inchi: 1S/C11H22O3/c1-4-6-7-10(5-2)11(13)14-8-9(3)12/h9-10,12H,4-8H2,1-3H3
    • InChI Key: RCYYLBZELJCFBT-UHFFFAOYSA-N
    • SMILES: O(CC(C)O)C(C(CC)CCCC)=O

Computed Properties

  • Exact Mass: 202.15696
  • Monoisotopic Mass: 202.15689456g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 157
  • 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
  • XLogP3: 2.7
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

Hexanoic acid,2-ethyl-, 2-hydroxypropyl ester Pricemore >>

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Hexanoic acid,2-ethyl-, 2-hydroxypropyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ,  Pyridine ;  2 h, cooled
1.2 Reagents: Sulfuric acid Solvents: Water ;  10 min, 500 °C
Reference
Branched fatty acid ester of polyhydric alcohol for cosmetic cleansers
, World Intellectual Property Organization, , ,

Hexanoic acid,2-ethyl-, 2-hydroxypropyl ester Raw materials

Hexanoic acid,2-ethyl-, 2-hydroxypropyl ester Preparation Products

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