Cas no 5416-57-9 ((5-methyl-2-pentylphenyl) Acetate)
5416-57-9 structure
Product Name:(5-methyl-2-pentylphenyl) Acetate
CAS No:5416-57-9
MF:C14H20O2
MW:220.307404518127
CID:1588132
PubChem ID:221784
Update Time:2025-04-21
(5-methyl-2-pentylphenyl) Acetate Chemical and Physical Properties
Names and Identifiers
-
- (5-methyl-2-pentylphenyl) Acetate
- 5-methyl-2-pentylphenyl acetate
- NSC6842
- AC1L5ASO
- AC1Q60V5
- CTK4J9858
- NSC-6842
- AR-1G8878
- AG-J-54527
- 5-methyl-2-pentylphenyl acetate; NSC6842; AC1L5ASO; AC1Q60V5; CTK4J9858; NSC-6842; AR-1G8878; AG-J-54527;
- NSC 6842
- DTXSID20278264
- 5416-57-9
-
- Inchi： 1S/C14H20O2/c1-4-5-6-7-13-9-8-11(2)10-14(13)16-12(3)15/h8-10H,4-7H2,1-3H3
- InChI Key： OWINUZKAOVJNOB-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=C(C)C=CC=1CCCCC
Computed Properties
- Exact Mass: 220.1464
- Monoisotopic Mass: 220.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 213
- 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: 4.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.976
- Boiling Point: 306.7°C at 760 mmHg
- Flash Point: 109.6°C
- Refractive Index: 1.495
- PSA: 26.3
- LogP: 3.65300
(5-methyl-2-pentylphenyl) Acetate Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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