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CAS Number: 3141-93-3
1-(3,4-dimethoxyphenyl)-2-phenylethanone

Structure

1-(3,4-dimethoxyphenyl)-2-phenylethanone
Name: 1-(3,4-dimethoxyphenyl)-2-phenylethanone
Synonyms:
General Information
Product Number: 3141933

CAS Registry Number 3141-93-3
Name:
Ethanone, 1-​(3,​4-​dimethoxyphenyl)​-​2-​phenyl-
Acetophenone, 3',4'-dimethoxy-2-phenyl- (6CI,7CI,8CI)
1-(3,4-Dimethoxyphenyl)-2-phenylethanone
Benzyl 3,4-dimethoxyphenyl ketone

 

Chemical Formula: C16H16O3
Exact Mass: 256.11
Molecular Weight: 256.30
m/z: 256.11 (100.0%), 257.11 (17.4%), 258.12 (1.5%)

 

InChI:InChI=1S/C16H16O3/c1-18-15-9-8-13(11-16(15)19-2)14(17)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3

InChI Key:PCHUBNOSEWYQAT-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C(C=C1)C(=O)CC2=CC=CC=C2)OC

 

Thermal Properties Value Condition Note
Melting Point 91-93 °C   (3)CAS
Melting Point 88 °C   (4)CAS
Melting Point 88 °C   (5)CAS
Melting Point 87-88 °C Solv: benzene (71-43-2); ligroine (8032-32-4) (6)CAS
Melting Point 86-88 °C Solv: methanol (67-56-1) (1)IC
Melting Point 85-87 °C   (7)IC

Specification

98%

References
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  3. (3) Tiffeneau, M.; Bulletin de la Societe Chimique de France 1931, V49, P1757-65 CAPLUS
  4. (4) Kaufmann, Adolf; Berichte der Deutschen Chemischen Gesellschaft 1918, V51, P123-30 CAPLUS
  5. (5) Kaufmann, Adolf; Journal of the Chemical Society, Abstracts 1918, V114(I), P178-9 CAPLUS
  6. (6) Farooq, Mohammad Omar; Chemische Berichte 1959, V92, P2555-9 CAPLUS
  7. (7) Badia, D.; Bulletin des Societes Chimiques Belges 1989, V98(1), P77-81 CAPLUS
  8. (8) Bercot, Pierre; Compt. Rend. 1965, V260(11), P3099-101 CAPLUS
  9. (9) Dyke, S. F.; Tetrahedron 1975, V31(9), P1219-22 CAPLUS
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