Cas no 113133-46-3 (3-(BENZYLOXY)BUTAN-2-ONE)

3-(BENZYLOXY)BUTAN-2-ONE structure
3-(BENZYLOXY)BUTAN-2-ONE structure
Product Name:3-(BENZYLOXY)BUTAN-2-ONE
CAS No:113133-46-3
MF:C11H14O2
MW:178.227663516998
MDL:MFCD09864973
CID:105995
PubChem ID:10997603
Update Time:2025-04-18

3-(BENZYLOXY)BUTAN-2-ONE Chemical and Physical Properties

Names and Identifiers

    • 3-(BENZYLOXY)BUTAN-2-ONE
    • Z906195336
    • 113133-46-3
    • SCHEMBL357741
    • 98168-70-8
    • MFCD09864973
    • AKOS011305611
    • F72464
    • A854168
    • 3-phenylmethoxybutan-2-one
    • EN300-196478
    • 2-Butanone, 3-(phenylmethoxy)-
    • MDL: MFCD09864973
    • Inchi: 1S/C11H14O2/c1-9(12)10(2)13-8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3
    • InChI Key: LWNDILDCHVPFIL-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(C(C)=O)C

Computed Properties

  • Exact Mass: 178.09942
  • Monoisotopic Mass: 178.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 160
  • 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: 1.7
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 277.9±15.0 °C at 760 mmHg
  • Flash Point: 116.8±13.9 °C
  • PSA: 26.3
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

3-(BENZYLOXY)BUTAN-2-ONE Security Information

3-(BENZYLOXY)BUTAN-2-ONE Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
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