Cas no 5440-80-2 (3-Pentanone,1-(4-methoxyphenyl)-)
5440-80-2 structure
Product Name:3-Pentanone,1-(4-methoxyphenyl)-
CAS No:5440-80-2
MF:C12H16O2
MW:192.254243850708
CID:385547
PubChem ID:228124
Update Time:2025-04-19
3-Pentanone,1-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentanone,1-(4-methoxyphenyl)-
- 1-(4-methoxyphenyl)pentan-3-one
- 1-(4-methoxyphenyl)-3-oxo-pentane
- 1-(4'-methoxyphenyl)-3-pentanone
- 1-(4-Methoxy-phenyl)-pentan-3-on
- 1-(4-Methoxy-phenyl)-pentan-3-one
- 5-(p-methoxyphenyl)pentan-3-one
- AC1L5FZS
- AC1Q5GYT
- AR-1B2212
- CTK5A0886
- KST-1B6537
- NSC20748
- SureCN3994134
- DTXSID50281206
- AKOS013845785
- 5440-80-2
- SCHEMBL3994134
- A1-43517
- NSC-20748
- WPUNQPSBPCNUGM-UHFFFAOYSA-N
- NSC 20748
-
- Inchi： 1S/C12H16O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h5-6,8-9H,3-4,7H2,1-2H3
- InChI Key： WPUNQPSBPCNUGM-UHFFFAOYSA-N
- SMILES： O=C(CC)CCC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 169
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 2.3
Experimental Properties
- Density: 0.996
- Boiling Point: 288.2°C at 760 mmHg
- Flash Point: 118.2°C
- Refractive Index: 1.496
- PSA: 26.3
- LogP: 2.60690
3-Pentanone,1-(4-methoxyphenyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
5440-80-2 (3-Pentanone,1-(4-methoxyphenyl)-) Related Products
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