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Basic Description
| Synonyms | Butyl perfluorooctanoate | Butyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate | DTXSID20895738 | n-Butyl perfluorooctanoate | n-Butyl perfluorooctanoate, 92% | Pentadecafluorooctanoic acid, butyl ester | FT-0631931 | SCHEMBL10349692 | Butyl pent |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organohalogen compounds
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Class
Alkyl halides
- Subclass Alkyl fluorides
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Class
Alkyl halides
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Superclass
Organohalogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Alkyl halides |
| Subclass | Alkyl fluorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Perfluoroalkyl carboxylic acid and derivatives |
| Alternative Parents | Fatty acid esters Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Perfluoroalkyl carboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as perfluoroalkyl carboxylic acid and derivatives. These are organic compounds containing an alkyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488193799 |
|---|---|
| IUPAC Name | butyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate |
| INCHI | InChI=1S/C12H9F15O2/c1-2-3-4-29-5(28)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h2-4H2,1H3 |
| InChIKey | SBMFZWPPSPRLTN-UHFFFAOYSA-N |
| Smiles | CCCCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| Isomeric SMILES | CCCCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| Molecular Weight | 470.17 |
| Reaxy-Rn | 1810253 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1810253&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2326347 |
Certificate of Analysis | Jul 07, 2023 | B357033 |
| G2326298 |
Certificate of Analysis | Jul 07, 2023 | B357033 |
| G2326296 |
Certificate of Analysis | Jul 07, 2023 | B357033 |
| G2326351 |
Certificate of Analysis | Jul 07, 2023 | B357033 |
| G2326308 |
Certificate of Analysis | Jul 07, 2023 | B357033 |
| G2326289 |
Certificate of Analysis | Jul 07, 2023 | B357033 |
Chemical and Physical Properties
| Molecular Weight | 470.170 g/mol |
|---|---|
| XLogP3 | 6.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 10 |
| Exact Mass | 470.036 Da |
| Monoisotopic Mass | 470.036 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 593.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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