Cas no 100910-01-8 (3,6-Octanedione, 4-phenyl-)
3,6-Octanedione, 4-phenyl- structure
Product Name:3,6-Octanedione, 4-phenyl-
CAS No:100910-01-8
MF:C14H18O2
MW:218.291524410248
CID:1127328
Update Time:2024-07-27
3,6-Octanedione, 4-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 3,6-Octanedione, 4-phenyl-
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- Inchi： 1S/C14H18O2/c1-3-12(15)10-13(14(16)4-2)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3
- InChI Key： RMAHWPPRWORLQB-UHFFFAOYSA-N
- SMILES： CCC(=O)C(C1=CC=CC=C1)CC(=O)CC
Computed Properties
- Exact Mass: 218.13074
Experimental Properties
- Density: 1.009±0.06 g/cm3(Predicted)
- Boiling Point: 329.4±22.0 °C(Predicted)
- PSA: 34.14
3,6-Octanedione, 4-phenyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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