Cas no 876-98-2 (2,6-xylyl acetate)

2,6-xylyl acetate structure
2,6-xylyl acetate structure
Product Name:2,6-xylyl acetate
CAS No:876-98-2
MF:C10H12O2
MW:164.201083183289
MDL:MFCD00225289
CID:992810
PubChem ID:101890
Update Time:2025-09-23

2,6-xylyl acetate Chemical and Physical Properties

Names and Identifiers

    • 2,6-xylyl acetate
    • (2,6-dimethylphenyl) acetate
    • Phenol, 2,6-dimethyl-, 1-acetate
    • 2,6-dimethylphenyl acetate
    • SY294412
    • 2,6-Dimethyl-1-acetoxybenzene
    • Phenol, 2,6-dimethyl-, acetate
    • 2,6-Dimethylacetoxybenzene
    • CS-0364987
    • ACETIC ACID 2,6-DIMETHYL-PHENYL ESTER
    • AKOS002948056
    • 876-98-2
    • EINECS 212-883-1
    • MFCD00225289
    • DTXSID00875992
    • SCHEMBL2059537
    • NS00042642
    • MDL: MFCD00225289
    • Inchi: 1S/C10H12O2/c1-7-5-4-6-8(2)10(7)12-9(3)11/h4-6H,1-3H3
    • InChI Key: UDDBRJGGGUMTQZ-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C1C(C)=CC=CC=1C

Computed Properties

  • Exact Mass: 164.08373
  • Monoisotopic Mass: 164.08373
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 155
  • 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
  • XLogP3: 2.3
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.028
  • Boiling Point: 221.9°C at 760 mmHg
  • Flash Point: 88°C
  • Refractive Index: 1.503

2,6-xylyl acetate Pricemore >>

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