Cas no 6972-63-0 (Benzene,1,3-diethoxy-2-methyl-)

Benzene,1,3-diethoxy-2-methyl- structure
6972-63-0 structure
Product Name:Benzene,1,3-diethoxy-2-methyl-
CAS No:6972-63-0
MF:C11H16O2
MW:180.243543624878
CID:512245
PubChem ID:247492
Update Time:2025-04-19

Benzene,1,3-diethoxy-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,3-diethoxy-2-methyl-
    • 1,3-diethoxy-2-methylbenzene
    • 2,6-DIETHOXY TOLUENE
    • 1,3-diethoxytoluene
    • 2,6-Diaethoxy-toluol
    • 591556_ALDRICH
    • AC1L6KDW
    • AC1Q57GW
    • ACMC-20ao8y
    • CTK5D1090
    • NSC62146
    • 2,6-Diethoxytoluene
    • DTXSID80289598
    • SCHEMBL12750190
    • 6972-63-0
    • 2,6-Diethoxytoluene, 97%
    • NSC 62146
    • AKOS015889116
    • FT-0690863
    • NSC-62146
    • 2 6-DIETHOXYTOLUENE 97
    • Inchi: 1S/C11H16O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h6-8H,4-5H2,1-3H3
    • InChI Key: ZJCYULYFGMNBIQ-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC=C(C=1C)OCC

Computed Properties

  • Exact Mass: 180.11508
  • Monoisotopic Mass: 180.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 122
  • 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: 18.5A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.965
  • Melting Point: 44-48?°C(lit.)
  • Boiling Point: 249.4°C at 760 mmHg
  • Flash Point: 110?°C
  • Refractive Index: 1.486
  • PSA: 18.46
  • Solubility: Not determined

Benzene,1,3-diethoxy-2-methyl- Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi
  • Risk Phrases:36/37/38

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