Cas no 1097121-69-1 (1-(4-methoxyphenyl)-4,4-dimethyl-1,3-Pentanedione)
1097121-69-1 structure
Product Name:1-(4-methoxyphenyl)-4,4-dimethyl-1,3-Pentanedione
CAS No:1097121-69-1
MF:C15H20O3
MW:248.317504882813
CID:1003594
PubChem ID:43321119
Update Time:2025-04-20
1-(4-methoxyphenyl)-4,4-dimethyl-1,3-Pentanedione Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-methoxyphenyl)-4,4-dimethyl-1,3-Pentanedione
- 1-(4-methoxyphenyl)-1,3-Octanedione
- 1-(4-methoxyphenyl)octane-1,3-dione
- 1097121-69-1
- DB-059935
-
- Inchi： 1S/C15H20O3/c1-3-4-5-6-13(16)11-15(17)12-7-9-14(18-2)10-8-12/h7-10H,3-6,11H2,1-2H3
- InChI Key： FQDVRSVQUOWQAF-UHFFFAOYSA-N
- SMILES： O=C(CC(C1C=CC(=CC=1)OC)=O)CCCCC
Computed Properties
- Exact Mass: 234.12564
- Monoisotopic Mass: 248.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 265
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 1.029
- Boiling Point: 382 oC
- Flash Point: 168 oC
- PSA: 43.37
1-(4-methoxyphenyl)-4,4-dimethyl-1,3-Pentanedione Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
1097121-69-1 (1-(4-methoxyphenyl)-4,4-dimethyl-1,3-Pentanedione) Related Products
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