Methyl Pentadecafluorooctanoate - ≥97%(GC) , CAS No.376-27-2

CAS: 376-27-2 Cat. No.: M158811 Molecular Weight: 428.1 Beilstein Registry Number: 2(4)995 EC Number: 206-808-1

GRADE & PURITY ≥97%(GC)

Synonyms

STL554725 | BBL100931 | DTXSID8059924 | Octanoic acid, perfluoro-, methyl ester | Perfluorooctanoic Acid Methyl Ester | MFCD00039244 | SCHEMBL197507 | Methyl pentadecafluorooctanoate | Methyl perfluorooctanoate | methylperfluorooctanoate | Methylpentadeca

Storage

Room temperature

Shipped In

Normal

Overview

Methyl perfluorooctanoate may be employed in the following studies: · Synthesis of monodisperse perfluoroalkyl N-polyethoxylated amides, potential nonionic fluorinated surfactants. · To investigate the mutual solubility curves of fluorocarbon-hydrocarbon systems. · Synthesis of fluorine-containing monomer, N-(5-hydroxypent-1-yl)perfluorooctaneamide. · To investigate the vinyl ether formulations for use in step and flash imprint lithography. · Preparation of 2-chloro-1,1-dicyano-2-(perfluoroheptyl)ethylene, a precursor for synthesizing perfluorocarbon-soluble dyes.

Specifications

Synonyms

STL554725 | BBL100931 | DTXSID8059924 | Octanoic acid, perfluoro-, methyl ester | Perfluorooctanoic Acid Methyl Ester | MFCD00039244 | SCHEMBL197507 | Methyl pentadecafluorooctanoate | Methyl perfluorooctanoate | methylperfluorooctanoate | Methylpentadeca

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488184016
• Canonical Smiles: COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
• InChIKey: XOCNYZFAMHDXJK-UHFFFAOYSA-N
• INCHI: 1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3
• Isomeric SMILES: COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• WGK Germany: 3
• RTECS: RH0783200
• Molecular Weight: 428.1
• Beilstein: 2(4)995
• Reaxy-Rn: 1809817
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1809817&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Alkyl fluorides

• 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 Methyl esters Alpha-halocarboxylic acid derivatives 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 derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organofluoride - 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Flash Point(°F): 150.8 °F
• Flash Point(°C): 66 °C
• Molecular Weight: 428.090 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 7
• Exact Mass: 427.989 Da
• Monoisotopic Mass: 427.989 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 546.000
• 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

References

1. Jiaxing Cui, Ming Gui, Yuzhi Zhang, Delong Chen, Wenjuan Liu, Chengfei Zhu.  (2025)  Improved Paper Deacidification Performance with CaMgO2 Nanocomposite in Fluorocarbon Solvent.  Surfaces and Interfaces,      [PMID:] [10.1016/j.surfin.2025.106611]