Cas no 6282-27-5 (Propyl 4-tert-butylbenzoate)
Propyl 4-tert-butylbenzoate structure
Product Name:Propyl 4-tert-butylbenzoate
CAS No:6282-27-5
MF:C14H20O2
MW:220.307404518127
CID:1640147
PubChem ID:221934
Update Time:2025-04-21
Propyl 4-tert-butylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Propyl 4-tert-butylbenzoate
- CTK5B6199
- AG-J-54553
- AR-1L2404
- AC1Q66MZ
- 4-tert.-Butyl-benzoesaeure-propylester
- NSC7050
- AKOS008948014
- AC1L5B1I
- CTK5B6199; AG-J-54553; AR-1L2404; AC1Q66MZ; 4-tert.-Butyl-benzoesaeure-propylester; NSC7050; AKOS008948014; AC1L5B1I;
- NSC-7050
- propyl 4-t-butylbenzoate
- Benzoic acid, 4-tert-butyl-, propyl ester
- DTXSID60278349
- IFFIRJMHMXRNHD-UHFFFAOYSA-N
- 6282-27-5
- SCHEMBL21672265
-
- Inchi： 1S/C14H20O2/c1-5-10-16-13(15)11-6-8-12(9-7-11)14(2,3)4/h6-9H,5,10H2,1-4H3
- InChI Key： IFFIRJMHMXRNHD-UHFFFAOYSA-N
- SMILES： O(CCC)C(C1C=CC(=CC=1)C(C)(C)C)=O
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: 5
- Complexity: 219
- 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: 4.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.97
- Boiling Point: 295.5°C at 760 mmHg
- Flash Point: 131.4°C
- Refractive Index: 1.49
- PSA: 26.3
Propyl 4-tert-butylbenzoate Related Literature
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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