| Identification | Back Directory | [Name]
JR-6991, 1-(4-(Benzyloxy)-2-hydroxyphenyl)-2-phenylethanone, 97% | [CAS]
39604-80-3 | [Synonyms]
Ethanone, 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-2-phenyl-
JR-6991, 1-(4-(Benzyloxy)-2-hydroxyphenyl)-2-phenylethanone, 97% | [Molecular Formula]
C21H18O3 | [MDL Number]
MFCD08446832 | [MOL File]
39604-80-3.mol | [Molecular Weight]
318.37 |
| Chemical Properties | Back Directory | [Melting point ]
104–108°C | [Boiling point ]
513.3±40.0 °C(Predicted) | [density ]
1.202±0.06 g/cm3(Predicted) | [form ]
solid | [pka]
7.58±0.35(Predicted) | [InChI]
1S/C21H18O3/c22-20(13-16-7-3-1-4-8-16)19-12-11-18(14-21(19)23)24-15-17-9-5-2-6-10-17/h1-12,14,23H,13,15H2 | [InChIKey]
MASNZNZALYEQEN-UHFFFAOYSA-N | [SMILES]
O=C(C1=C(O)C=C(OCC2=CC=CC=C2)C=C1)CC3=CC=CC=C3 |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1 |
| Hazard Information | Back Directory | [Preparation]
Preparation by partial benzylation of 2,4-dihydroxy-phenyl benzyl ketone,
? with benzyl chloride in the presence of potassium carbonate in refluxing acetone;
? with benzyl bromide in the presence of potassium carbonate in refluxing acetone or in the presence of potassium hydroxide at r.t. for 24 h (29%). |
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Sigma-Aldrich
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021-61415566 800-8193336 |
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https://www.sigmaaldrich.cn |
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