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CAS Number: 5407-98-7
cyclobutyl(phenyl)methanone

Structure

cyclobutyl(phenyl)methanone
Name: cyclobutyl(phenyl)methanone
Synonyms:
General Information
Product Number: 5407987
CAS Registry Number: 5407-98-7
Name:
        Methanone, cyclobutylphenyl-
        Ketone, cyclobutyl phenyl (6CI,​7CI,​8CI); 1-​Cyclobutyl-​1-​phenylmethanone; Benzoylcyclobutane; Cyclobutane, benzoyl-; Cyclobutyl phenyl ketone; Cyclobutylphenylmeth​anone; NSC 10744; Phenyl cyclobutyl ketone 
 
Chemical Formula: C11H12O
Exact Mass: 160.09
Molecular Weight: 160.21
m/z: 160.09 (100.0%), 161.09 (11.9%)
Elemental Analysis: C, 82.46; H, 7.55; O, 9.99
 
InChI: InChI=1S/C11H12O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey: MVEBDOSCXOQNAR-UHFFFAOYSA-N
Canonical SMILES : C1CC(C1)C(=O)C2=CC=CC=C2
 
Thermal Properties Value Condition Note
Boiling Point 260-262 °C Press: 750 Torr (1)CAS
Boiling Point 260 °C   (2)SRC
Boiling Point 127-130 °C Press: 9 Torr (3)CAS
Boiling Point 127 °C Press: 9 Torr (3)CAS
Boiling Point 124-127 °C Press: 9 Torr (3)CAS
Boiling Point 122-125 °C Press: 8 Torr (1)CAS
Boiling Point 121.5-122.0 °C Press: 10 Torr (4)CAS
Boiling Point 116-118 °C Press: 7 Torr (5)CAS
Boiling Point 62-64 °C Press: 0.15 Torr (6)IC

Specification

98%

References

  • (1) Henze, Henry R.; Journal of the American Chemical Society 1952, V74, P3615-17 CAPLUS
  • (2) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  • (3) Applequist, Douglas E.; Journal of the American Chemical Society 1960, V82, P1965-72 CAPLUS
  • (4) Favorskaya, T. A.; Zhurnal Obshchei Khimii 1952, V22, P122-8 CAPLUS
  • (5) Kadin, Saul B.; Journal of Organic Chemistry 1962, V27, P240-5 CAPLUS
  • (6) Somers, J. B. M.; Journal of the American Chemical Society 1985, V107(5), P1387-94 CAPLUS
  • (7) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  • (8) Maurer, H. Michael; Journal of the American Chemical Society 1979, V101(23), P6865-8 CAPLUS
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