Cas no 62614-46-4 (4-[(2S)-2-Methylbutyl]benzoic acid)
![4-[(2S)-2-Methylbutyl]benzoic acid structure](https://ossimg.kuujia.com/scimg/63000/62614-46-4x500.png)
62614-46-4 structure
Product Name:4-[(2S)-2-Methylbutyl]benzoic acid
CAS No:62614-46-4
MF:C12H16O2
MW:192.254243850708
CID:57896
PubChem ID:14177395
Update Time:2025-04-18
4-[(2S)-2-Methylbutyl]benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-[(2S)-2-Methylbutyl]benzoic acid
- BENZOIC ACID,4-[(2S)-2-METHYLBUTYL]
- OOJNHQQNTIEJDO-VIFPVBQESA-N
- 62614-46-4
- (S)-4-(2'-methylbutyl)benzoic acid
- SCHEMBL9234376
- 4-((2s)-2-methylbutyl)benzoic acid
-
- Inchi： 1S/C12H16O2/c1-3-9(2)8-10-4-6-11(7-5-10)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1
- InChI Key： OOJNHQQNTIEJDO-VIFPVBQESA-N
- SMILES： OC(C1C=CC(=CC=1)C[C@@H](C)CC)=O
Computed Properties
- Exact Mass: 192.115029749g/mol
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.041
- Boiling Point: 308.7 °C at 760 mmHg
- Flash Point: 308.7 °C at 760 mmHg
4-[(2S)-2-Methylbutyl]benzoic acid Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
62614-46-4 (4-[(2S)-2-Methylbutyl]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)
- 83626-35-1(4-(trans-4-Butylcyclohexyl)benzoic acid)
- 3575-31-3(4-Octylbenzoic acid)
- 38350-87-7(4-Heptylbenzoic acid)
- 65355-30-8(4-(trans-4-Pentylcyclohexyl)benzoic acid)
- 20029-52-1(4-Cyclohexylbenzoic acid)
- 65355-29-5(Np(trans-4-N-propylcyclohexyl)benzoicacid)
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