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CAS Number: 54696-05-8
1-(4-(benzyloxy)phenyl)ethanone

Structure

1-(4-(benzyloxy)phenyl)ethanone
Name: 1-(4-(benzyloxy)phenyl)ethanone
Synonyms:
General Information
Product Number: 54696058

CAS Registry Number 54696-05-8
Name:
Ethanone, 1-?[4-?(phenylmethoxy)?phenyl]?-
Acetophenone, 4'-(benzyloxy)- (6CI,7CI)
1-[4-(Phenylmethoxy)phenyl]ethanone
1-(4-Benzyloxyphenyl)ethanone
4-Acetylphenyl benzyl ether
4-Benzyloxyacetophenone

 

Chemical Formula: C15H14O2
Exact Mass: 226.10
Molecular Weight: 226.27
m/z: 226.10 (100.0%), 227.10 (16.3%), 228.11 (1.3%)

 

InChI:InChI=1S/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChI Key:MKYMYZJJFMPDOA-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

 

Thermal Properties Value Condition Note
Melting Point 95-96 °C Solv: ethanol (64-17-5) (9)CAS
Melting Point 93 °C   (10)CAS
Melting Point 92-93 °C Solv: ethanol (64-17-5) (11)IC
Melting Point 92 °C   (7)CAS
Melting Point 91-92 °C   (12)CAS
Melting Point 89-90 °C   (3)CAS

Specification

98%

References
  1. (3) Lin, Chin-Fen; Bioorganic & Medicinal Chemistry 2005, V13(5), P1537-1544 CAPLUS
  2. (7) Fossey, Christine; Journal of Enzyme Inhibition and Medicinal Chemistry 2007, V22(5), P591-607 CAPLUS
  3. (9) Dominguez, Xorge Alejandro; Journal of the American Chemical Society 1955, V77, P1288-90 CAPLUS
  4. (10) Priestley, Hill M.; Journal of Organic Chemistry 1940, V5, P355-61 CAPLUS
  5. (11) Baggaley, Keith H.; Journal of Medicinal Chemistry 1977, V20(11), P1388-93 CAPLUS
  6. (12) Burton, H.; Journal of the Chemical Society 1951, P522-9 CAPLUS
  7. (13) Chimenti, Franco; Journal of Medicinal Chemistry 2009, V52(9), P2818-2824 CAPLUS
  8. (14) Pandeya, S. N.; Acta Ciencia Indica, Chemistry 2007, V33(1), P85-92 CAPLUS
  9. (15) Bolhofer, Wm. A.; Journal of the American Chemical Society 1953, V75, P4469-73 CAPLUS
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