Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:42:09 UTC |
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Update Date | 2022-03-07 02:52:54 UTC |
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HMDB ID | HMDB0031292 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Octafluorocyclobutane |
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Description | Propellant and aerating agent in foamed or sprayed food products Octafluorocyclobutane is a dimer of tetrafluoroethylene. Its critical point is at 115.3 °C and 2.79 MPa. Octafluorocyclobutane, or perfluorocyclobutane, C4F8, is a compound of carbon and fluorine used in the production and processing of semiconductor materials and devices, for example as a deposition gas and etchant. It has also been investigated as a refrigerant in specialised applications, as a replacement for Ozone depleting chlorofluorocarbon refrigerants |
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Structure | FC1(F)C(F)(F)C(F)(F)C1(F)F InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10 |
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Synonyms | Value | Source |
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1,1,2,2,3,3,4,4-Octafluorocyclobutane | ChEBI | e 946 | ChEBI | e-946 | ChEBI | e946 | ChEBI | Freon 318 | ChEBI | Freon C 318 | ChEBI | Freon C-318 | ChEBI | Perfluorocyclobutane | ChEBI | 1,1,2,2,3,3,4,4-Octafluoro-cyclobutane | HMDB | C318 | HMDB | Cyclooctafluorobutane | HMDB | Fluorocarbon C-318 | HMDB | Freon C318 | HMDB | Halocarbon C-138 | HMDB | Octafluoro-cyclobutane | HMDB | Propellant C318 | HMDB |
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Chemical Formula | C4F8 |
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Average Molecular Weight | 200.03 |
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Monoisotopic Molecular Weight | 199.98722564 |
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IUPAC Name | octafluorocyclobutane |
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Traditional Name | octafluorocyclobutane |
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CAS Registry Number | 115-25-3 |
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SMILES | FC1(F)C(F)(F)C(F)(F)C1(F)F |
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InChI Identifier | InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10 |
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InChI Key | BCCOBQSFUDVTJQ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as organofluorides. Organofluorides are compounds containing a chemical bond between a carbon atom and a fluorine atom. |
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Kingdom | Organic compounds |
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Super Class | Organohalogen compounds |
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Class | Organofluorides |
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Sub Class | Not Available |
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Direct Parent | Organofluorides |
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Alternative Parents | |
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Substituents | - Hydrocarbon derivative
- Organofluoride
- Alkyl halide
- Alkyl fluoride
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Liquid |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Octafluorocyclobutane GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-9500000000-5faf4443ecf16cfe4ee7 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Octafluorocyclobutane GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Octafluorocyclobutane 10V, Positive-QTOF | splash10-0udi-0090000000-602dc2e702cca36e6220 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Octafluorocyclobutane 20V, Positive-QTOF | splash10-0udi-0190000000-ed06d55114c63af22b08 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Octafluorocyclobutane 40V, Positive-QTOF | splash10-0udi-0590000000-24d087ab9ec873afea7f | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Octafluorocyclobutane 10V, Negative-QTOF | splash10-0002-0900000000-d8510ea56ce7a6e6d831 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Octafluorocyclobutane 20V, Negative-QTOF | splash10-0002-0900000000-d8510ea56ce7a6e6d831 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Octafluorocyclobutane 40V, Negative-QTOF | splash10-0002-0900000000-d8510ea56ce7a6e6d831 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Octafluorocyclobutane 10V, Positive-QTOF | splash10-0udi-0090000000-b33a857924593fea592d | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Octafluorocyclobutane 20V, Positive-QTOF | splash10-0udi-0090000000-b33a857924593fea592d | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Octafluorocyclobutane 40V, Positive-QTOF | splash10-0udi-0090000000-b33a857924593fea592d | 2021-09-23 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB003338 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 13846040 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Octafluorocyclobutane |
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METLIN ID | Not Available |
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PubChem Compound | 8263 |
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PDB ID | Not Available |
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ChEBI ID | 31007 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | rw1343641 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - ElSohly AM, Tschumper GS, Crocombe RA, Wang JT, Williams F: Computational and ESR studies of electron attachment to decafluorocyclopentane, octafluorocyclobutane, and hexafluorocyclopropane: electron affinities of the molecules and the structures of their stable negative ions as determined from 13C and 19F hyperfine coupling constants. J Am Chem Soc. 2005 Aug 3;127(30):10573-83. [PubMed:16045345 ]
- Simaan JA, Aviado DM: Hemodynamic effects of aerosol propellants. I. Cardiac depression in the dog. Toxicology. 1975 Nov;5(2):127-38. [PubMed:1209645 ]
- Zadoo S, Thompson JE: Rayleigh scattering measurements of several fluorocarbon gases. J Environ Monit. 2011 Nov;13(11):3294-7. doi: 10.1039/c1em10667h. Epub 2011 Oct 25. [PubMed:22027960 ]
- Andersson H, van der Wijngaart W, Stemme G: Micromachined filter-chamber array with passive valves for biochemical assays on beads. Electrophoresis. 2001 Jan;22(2):249-57. [PubMed:11288892 ]
- Peri SR, Akgun B, Satija SK, Jiang H, Enlow J, Bunning TJ, Foster MD: Control of interface nanoscale structure created by plasma-enhanced chemical vapor deposition. ACS Appl Mater Interfaces. 2011 Sep;3(9):3375-83. doi: 10.1021/am200543x. Epub 2011 Aug 29. [PubMed:21875044 ]
- Peyman GA, Namperumalsamy P, Vygantas C: Clinical trail of intravitreal C F in retinal detachment surgery. Can J Ophthalmol. 1975 Apr;10(2):218-21. [PubMed:1125848 ]
- Yeo LP, Yan YH, Lam YC, Chan-Park MB: Design of experiment for optimization of plasma-polymerized octafluorocyclobutane coating on very high aspect ratio silicon molds. Langmuir. 2006 Nov 21;22(24):10196-203. [PubMed:17107021 ]
- Bhandari D, Kravchenko II, Lavrik NV, Sepaniak MJ: Nanotransfer printing using plasma etched silicon stamps and mediated by in situ deposited fluoropolymer. J Am Chem Soc. 2011 May 25;133(20):7722-4. doi: 10.1021/ja201497a. Epub 2011 Apr 28. [PubMed:21526774 ]
- Wolf U, Scholz A, Terekhov M, Koebrich R, David M, Schreiber LM: Visualization of inert gas wash-out during high-frequency oscillatory ventilation using fluorine-19 MRI. Magn Reson Med. 2010 Nov;64(5):1478-83. doi: 10.1002/mrm.22528. [PubMed:20593369 ]
- van der Kooij AM, Luijendijk SC: Longitudinal dispersion of gases measured in a model of the bronchial airways. J Appl Physiol (1985). 1985 Nov;59(5):1343-9. [PubMed:4066563 ]
- Constable IJ, Swann DA: Vitreous substitution with gases. Arch Ophthalmol. 1975 Jun;93(6):416-9. [PubMed:805581 ]
- Spohr R, Sharma G, Forsberg P, Karlsson M, Hallen A, Westerberg L: Stroke asymmetry of tilted superhydrophobic ion track textures. Langmuir. 2010 May 4;26(9):6790-6. doi: 10.1021/la904137t. [PubMed:20085343 ]
- Peyman GA, Vygantas CM, Bennett TO, Vygantas AM, Brubaker S: Octafluorocyclobutane in vitreous and aqueous humor replacement. Arch Ophthalmol. 1975 Jul;93(7):514-7. [PubMed:806278 ]
- Vygantas CM, Peyman GA, Daily MJ, Ericson ES: Octafluorocyclobutane and other gases for vitreous replacement. Arch Ophthalmol. 1973 Sep;90(3):235-6. [PubMed:4729778 ]
- Urrets-Zavalia A, Maldonado A: The insufflation of freon in vitreoretinal surgery. Mod Probl Ophthalmol. 1977;18:253-8. [PubMed:876060 ]
- Shiotani M, Lund A, Lunell S, Williams F: Structures of the hexafluorocyclopropane, octafluorocyclobutane, and decafluorocyclopentane radical anions probed by experimental and computational studies of anisotropic electron spin resonance (ESR) spectra. J Phys Chem A. 2007 Jan 18;111(2):321-38. [PubMed:17214470 ]
- Miller TM, Friedman JF, Viggiano AA: Electron attachment and detachment and the electron affinity of cyclo-C4F8. J Chem Phys. 2004 Apr 15;120(15):7024-8. [PubMed:15267603 ]
- Brubaker S, Peyman GA, Vygantas C: Toxicity of octafluorocyclobutane after intracameral injection. Arch Ophthalmol. 1974 Oct;92(4):324-8. [PubMed:4416676 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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