Cas no 26509-45-5 (1,2-Propanediol,3-(3,4-dimethoxyphenyl)-)

1,2-Propanediol,3-(3,4-dimethoxyphenyl)- structure
26509-45-5 structure
Product Name:1,2-Propanediol,3-(3,4-dimethoxyphenyl)-
CAS No:26509-45-5
MF:C11H16O4
MW:212.242343902588
CID:256566
PubChem ID:117804
Update Time:2025-04-19

1,2-Propanediol,3-(3,4-dimethoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Propanediol,3-(3,4-dimethoxyphenyl)-
    • 3-(3,4-dimethoxyphenyl)propane-1,2-diol
    • Methyleugenolglycol
    • 2',3'-dihydroxymethyleugenol
    • [ "" ]
    • SCHEMBL9561046
    • 2,3-Propanediol, 1-(3,4-dimethoxyphenyl)-
    • BDBM50370887
    • 3-(3,4-dimethoxyphenyl)-propane-1,2-diol
    • BBA50945
    • 3-(3,4-Dimethoxyphenyl)-1,2-propanediol; 3-(3,4-Dimethoxyphenyl)propane-1,2-diol
    • CHEMBL376901
    • Oprea1_146476
    • HY-N3263
    • DTXSID70949371
    • NZKYZDCTLPYISK-UHFFFAOYSA-N
    • AKOS025288302
    • 3-(3, 4-dimethoxyphenyl)propane-1, 2-diol
    • AI-942/13331556
    • FS-8757
    • 26509-45-5
    • CS-0023741
    • DA-60184
    • 3-(3,4-dimethoxyphenyl)-1,2-propanediol
    • Inchi: 1S/C11H16O4/c1-14-10-4-3-8(5-9(13)7-12)6-11(10)15-2/h3-4,6,9,12-13H,5,7H2,1-2H3
    • InChI Key: NZKYZDCTLPYISK-UHFFFAOYSA-N
    • SMILES: OC(CO)CC1C=CC(=C(C=1)OC)OC

Computed Properties

  • Exact Mass: 212.10500
  • Monoisotopic Mass: 212.104859
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 174
  • 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
  • XLogP3: 0.4
  • Topological Polar Surface Area: 58.9

Experimental Properties

  • Color/Form: Powder
  • Density: 1.165±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 67.5-69 oC
  • Boiling Point: 272.08°C (rough estimate)
  • Flash Point: 184.5±26.5 °C
  • Refractive Index: 1.4389 (estimate)
  • Solubility: Slightly soluble (18 g/l) (25 o C),
  • PSA: 58.92000
  • LogP: 0.59950
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1,2-Propanediol,3-(3,4-dimethoxyphenyl)- Security Information

1,2-Propanediol,3-(3,4-dimethoxyphenyl)- Pricemore >>

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