Cas no 6935-69-9 (Pentanoic acid,[1,1'-bicyclohexyl]-2-yl ester)
![Pentanoic acid,[1,1'-bicyclohexyl]-2-yl ester structure](https://ossimg.kuujia.com/scimg/7000/6935-69-9x500.png)
6935-69-9 structure
Product Name:Pentanoic acid,[1,1'-bicyclohexyl]-2-yl ester
CAS No:6935-69-9
MF:C17H30O2
MW:266.418905735016
CID:524315
PubChem ID:409827
Update Time:2025-04-19
Pentanoic acid,[1,1'-bicyclohexyl]-2-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,[1,1'-bicyclohexyl]-2-yl ester
- (2-cyclohexylcyclohexyl) pentanoate
- NSC-23960
- NSC23960
- 6935-69-9
- DTXSID40328391
- [1,1'-BI(CYCLOHEXANE)]-2-YL PENTANOATE
-
- Inchi： 1S/C17H30O2/c1-2-3-13-17(18)19-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h14-16H,2-13H2,1H3
- InChI Key： CBHVYGKSGYRLRN-UHFFFAOYSA-N
- SMILES： O(C(CCCC)=O)C1CCCCC1C1CCCCC1
Computed Properties
- Exact Mass: 266.2247
- Monoisotopic Mass: 266.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.96
- Boiling Point: 328°Cat760mmHg
- Flash Point: 158.2°C
- Refractive Index: 1.48
- PSA: 26.3
Pentanoic acid,[1,1'-bicyclohexyl]-2-yl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
6935-69-9 (Pentanoic acid,[1,1'-bicyclohexyl]-2-yl ester) Related Products
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- 5726-19-2(2-Methylcyclohexyl Acetate)
- 7779-73-9(Isobornyl isovalerate)
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