Cas no 50486-18-5 (Heptadecanoic acid,16-methyl-, 2,3-dihydroxypropyl ester)

Heptadecanoic acid,16-methyl-, 2,3-dihydroxypropyl ester structure
50486-18-5 structure
Product Name:Heptadecanoic acid,16-methyl-, 2,3-dihydroxypropyl ester
CAS No:50486-18-5
MF:C21H42O4
MW:358.555787563324
CID:380988
PubChem ID:3016527
Update Time:2025-04-19

Heptadecanoic acid,16-methyl-, 2,3-dihydroxypropyl ester Chemical and Physical Properties

Names and Identifiers

    • Heptadecanoic acid,16-methyl-, 2,3-dihydroxypropyl ester
    • 2,3-Dihydroxypropyl 16-methylheptadecanoate
    • GLYCEROISOSTEARATE
    • ASKIVFGGGGIGKH-UHFFFAOYSA-N
    • GLYCERYL ISOSTEARATE [INCI]
    • 2,3-Dihydroxypropyl isooctadecanoate
    • Q27280163
    • EINECS 267-822-1
    • glycerol monoisostearate, AldrichCPR
    • Glyceryl monoisostearate
    • PRISORINE GMIS 2040
    • Isooctadecanoic acid, monoester with glycerol
    • Isooctadecanoic acid, monoester with 1,2,3-propanetriol
    • EINECS 266-124-4
    • PRISORINE 2040
    • HYE7O27HAO
    • EC 266-124-4
    • SCHEMBL2516961
    • glycerin monoisostearate
    • NIKKOL MGIS
    • 2,3-Dihydroxypropyl16-methylheptadecanoate
    • 50486-18-5
    • 66085-00-5
    • Isostearic acid, 1,2,3-propaneriol ester (1:1)
    • Glycerol monoisostearate
    • AKD-2A
    • MGIS
    • ISOSTEARIC ACID MONOGLYCERIDE
    • GLYCERYL ISOSTEARATE [II]
    • UNII-HYE7O27HAO
    • NS00004917
    • EINECS 256-603-6
    • DTXSID70867203
    • GLYCERYL ISOSTEARATE
    • 67938-24-3
    • Inchi： 1S/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-18-20(23)17-22/h19-20,22-23H,3-18H2,1-2H3
    • InChI Key： ASKIVFGGGGIGKH-UHFFFAOYSA-N
    • SMILES： O(CC(CO)O)C(CCCCCCCCCCCCCCC(C)C)=O

Computed Properties

  • Exact Mass: 358.30846
  • Monoisotopic Mass: 358.30831
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 19
  • Complexity: 292
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 66.8

Experimental Properties

  • Density: 0.957
  • Boiling Point: 472.8°C at 760 mmHg
  • Flash Point: 150.1°C
  • Refractive Index: 1.468
  • PSA: 66.76

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