Cas no 657401-95-1 (1,3-Cyclohexanedione, 4,4-bis(3-methyl-2-butenyl)-)
657401-95-1 structure
Product Name:1,3-Cyclohexanedione, 4,4-bis(3-methyl-2-butenyl)-
CAS No:657401-95-1
MF:C16H24O2
MW:248.360565185547
CID:1691187
Update Time:2024-09-02
1,3-Cyclohexanedione, 4,4-bis(3-methyl-2-butenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Cyclohexanedione, 4,4-bis(3-methyl-2-butenyl)-
- 1,3-Cyclohexanedione, 4,4-bis(3-methyl-2-buten-1-yl)-
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- Inchi： 1S/C16H24O2/c1-12(2)5-8-16(9-6-13(3)4)10-7-14(17)11-15(16)18/h5-6H,7-11H2,1-4H3
- InChI Key： IIXPNSUFYXQCQZ-UHFFFAOYSA-N
- SMILES： C1(=O)CCC(C/C=C(/C)\C)(C/C=C(/C)\C)C(=O)C1
Computed Properties
- Exact Mass: 248.17772
Experimental Properties
- Density: 0.959±0.06 g/cm3(Predicted)
- Boiling Point: 354.0±30.0 °C(Predicted)
- PSA: 34.14
- pka: 5.26±0.40(Predicted)
1,3-Cyclohexanedione, 4,4-bis(3-methyl-2-butenyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
657401-95-1 (1,3-Cyclohexanedione, 4,4-bis(3-methyl-2-butenyl)-) Related Products
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