Cas no 94139-01-2 (Butanoic acid,4-cycloocten-1-yl ester)
94139-01-2 structure
Product Name:Butanoic acid,4-cycloocten-1-yl ester
CAS No:94139-01-2
MF:C12H20O2
MW:196.286004066467
CID:808762
PubChem ID:6366468
Update Time:2025-04-19
Butanoic acid,4-cycloocten-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-cycloocten-1-yl ester
- 4-cycloocten-1-yl butyrate
- cyclooct-4-en-1-yl butanoate
- 94139-01-2
- 4-Cycloocten-1-yl butanoate
- EINECS 303-015-3
- DTXSID101310396
-
- Inchi： 1S/C12H20O2/c1-2-8-12(13)14-11-9-6-4-3-5-7-10-11/h3-4,11H,2,5-10H2,1H3/b4-3-
- InChI Key： XUEDLQFTUOWOOY-ARJAWSKDSA-N
- SMILES： O(C(CCC)=O)C1CCC=CCCC1 |c:9|
Computed Properties
- Exact Mass: 196.14633
- Monoisotopic Mass: 196.14633
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 197
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 3.2
Experimental Properties
- Density: 0.95
- Boiling Point: 259.7°Cat760mmHg
- Flash Point: 102.5°C
- Refractive Index: 1.469
Butanoic acid,4-cycloocten-1-yl ester Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
94139-01-2 (Butanoic acid,4-cycloocten-1-yl ester) Related Products
- 111-62-6(Ethyl oleate)
- 17673-49-3(9-Octadecenoic acid(9Z)-, octadecyl ester)
- 143485-69-2(13-Docosenoic acid,9-octadecen-1-yl ester)
- 76649-16-6(Ethyl trans-4-decenoate)
- 142-77-8(Butyl Oleate)
- 108321-49-9(9-Hexadecenoic acid,dodecyl ester, (9Z)-)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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