Cas no 57918-95-3 (2-Pentanone, 4-methyl-5-phenyl-)
57918-95-3 structure
Product Name:2-Pentanone, 4-methyl-5-phenyl-
CAS No:57918-95-3
MF:C12H16O
MW:176.254843711853
CID:343766
PubChem ID:12277037
Update Time:2025-04-19
2-Pentanone, 4-methyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 4-methyl-5-phenyl-
- 4-methyl-5-phenylpentan-2-one
- 57918-95-3
- SCHEMBL10835297
- DTXSID40483732
- AKOS014048485
-
- Inchi： 1S/C12H16O/c1-10(8-11(2)13)9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
- InChI Key： CXICCRKAEZRHHD-UHFFFAOYSA-N
- SMILES： O=C(C)CC(C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 157
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Pentanone, 4-methyl-5-phenyl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
57918-95-3 (2-Pentanone, 4-methyl-5-phenyl-) Related Products
- 2550-26-7(4-phenylbutan-2-one)
- 34993-51-6((R)-3-Phenyl-cyclohexanone)
- 4894-75-1(4-phenylcyclohexan-1-one)
- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 493-72-1(5-Phenylcyclohexane-1,3-dione)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 29898-25-7(1-Phenyl-3-hexanone)
- 20795-51-1(1-Phenylpentan-3-one)
- 40463-09-0(4-Methyl-1-phenylpentan-3-one)
- 5349-62-2(4-Methyl-1-phenyl-2-pentanone)
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