Cas no 21368-39-8 (Dimethyl 5-allyloxy-isophthalate)

Dimethyl 5-allyloxy-isophthalate structure
21368-39-8 structure
Product Name:Dimethyl 5-allyloxy-isophthalate
CAS No:21368-39-8
MF:C13H14O5
MW:250.247264385223
MDL:MFCD27959245
CID:1400890
PubChem ID:10933919
Update Time:2025-09-21

Dimethyl 5-allyloxy-isophthalate Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylic acid, 5-(2-propenyloxy)-, dimethyl ester
    • dimethyl 5-prop-2-enoxybenzene-1,3-dicarboxylate
    • dimethyl 5-allyloxy-isophthalate
    • Dimethyl 5-(allyloxy)isophthalate
    • 5-Allyloxy-isophthalic acid dimethyl ester
    • RSLUFPUYQPGPNC-UHFFFAOYSA-N
    • DB-108590
    • starbld0000659
    • DTXSID90448917
    • AKOS037646985
    • CS-0047727
    • WAA36839
    • 21368-39-8
    • SCHEMBL644117
    • AS-71813
    • 1,3-DIMETHYL 5-(PROP-2-EN-1-YLOXY)BENZENE-1,3-DICARBOXYLATE
    • D72129
    • Dimethyl 5-allyloxy-isophthalate
    • MDL: MFCD27959245
    • Inchi: 1S/C13H14O5/c1-4-5-18-11-7-9(12(14)16-2)6-10(8-11)13(15)17-3/h4,6-8H,1,5H2,2-3H3
    • InChI Key: RSLUFPUYQPGPNC-UHFFFAOYSA-N
    • SMILES: O(CC=C)C1C=C(C(=O)OC)C=C(C(=O)OC)C=1

Computed Properties

  • Exact Mass: 250.08412
  • Monoisotopic Mass: 250.08412354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 7
  • Complexity: 289
  • 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: 61.8
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 359.4±27.0 °C at 760 mmHg
  • Flash Point: 158.2±23.8 °C
  • PSA: 61.83
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

Dimethyl 5-allyloxy-isophthalate Security Information

Dimethyl 5-allyloxy-isophthalate Pricemore >>

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