Cas no 25651-71-2 (4-n-butyl benzoic acid)
4-n-butyl benzoic acid structure
Product Name:4-n-butyl benzoic acid
CAS No:25651-71-2
MF:C11H14O2
MW:178.227663516998
CID:913941
PubChem ID:88631
Update Time:2025-04-19
4-n-butyl benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-n-butyl benzoic acid
- 2,3,4,5,6-Pentamethylbenzenemethanol 1-(3,5-dinitrobenzoate)
- p-Butylbenzoic Acid; 4-n-Butylbenzoic Acid; p-n-Butylbenzoic Acid;
- p-Butyl benzoic acid
- B0241
- 4-Butyl-benzoic acid
- EN300-14998
- EINECS 243-940-9
- p-Butylbenzoic acid
- p-n-Butylbenzoic acid
- SCHEMBL181230
- W-107603
- AM20030315
- NCGC00339428-01
- AC-18363
- Benzoic acid, 4-butyl-
- MFCD00002571
- p-n-butyl benzoic acid
- 20651-71-2
- 7QP4538G5R
- Z57169481
- 4-Butylbenzoic acid, 99%
- 4-Butylbenzoic acid
- AKOS000200682
- DTXSID8066638
- AB01109231-03
- CS-W017317
- TS-00187
- 4-n-Butylbenzoic acid
- NS00021838
- CHEMBL116157
- 25651-71-2
- SY033870
- STL197591
-
- Inchi： 1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
- InChI Key： JFKUBRAOUZEZSL-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)CCCC)=O
Computed Properties
- Exact Mass: 178.099379685g/mol
- Monoisotopic Mass: 178.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 158
- 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
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.270
4-n-butyl benzoic acid Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
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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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
25651-71-2 (4-n-butyl benzoic acid) Related Products
- 2438-05-3(4-n-Propylbenzoic acid)
- 26311-45-5(4-Pentylbenzoic acid)
- 20651-71-2(4-Butylbenzoic acid)
- 21643-38-9(4-Hexylbenzoic acid)
- 3575-31-3(4-Octylbenzoic acid)
- 59662-48-5(4-(4-Hexylphenyl)benzoic Acid)
- 38350-87-7(4-Heptylbenzoic acid)
- 59662-47-4(Np(4-N-pentylphenyl)benzoicacid)
- 619-64-7(4-Ethylbenzoic acid)
- 59662-46-3(4'-Butylbiphenyl-4-carboxylic Acid)
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