Tricosafluorododecanoic Acid(PFDoA) - ≥95%(GC) , CAS No.307-55-1

CAS: 307-55-1 Cat. No.: T162419 Molecular Weight: 614.1 Beilstein Registry Number: 1811260 EC Number: 206-203-2 PubChem CID: 67545

GRADE & PURITY ≥95%(GC)

Synonyms

Tricosafluorolauric Acid | Perfluorododecanoic acid | Perfluorolauric acid

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Tricosafluorolauric Acid | Perfluorododecanoic acid | Perfluorolauric acid

Specifications & Purity

≥95%(GC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥95%(GC)

Names and Identifiers

• Canonical Smiles: C(=O)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid
• InChIKey: CXGONMQFMIYUJR-UHFFFAOYSA-N
• INCHI: 1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)
• Isomeric SMILES: C(=O)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• WGK Germany: 3
• RTECS: JR3740000
• PubChem CID: 67545
• Molecular Weight: 614.1
• Beilstein: 1811260
• Reaxy-Rn: 1811257

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: Medium-chain fatty acids Halogenated fatty acids Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl carboxylic acid or derivatives - Medium-chain fatty acid - Halogenated fatty acid - Fatty acyl - Fatty acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organofluoride - Organooxygen compound - 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

• Solubility: Insoluble in water, soluble in methanol
• Sensitivity: Air and moisture sensitive
• Boil Point(°C): 245°C
• Melt Point(°C): 110 °C
• Molecular Weight: 614.100 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 10
• Exact Mass: 613.961 Da
• Monoisotopic Mass: 613.961 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 879.000
• 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. Xi Tan, Yan Shi, Chun-Feng Ma, Quan Chi, Yu-Hang Yang, Wen-Xiang Zhang, Hua-Ming Xiao, Xian Wang.  (2023)  Fluoro-functionalized plant biomass adsorbent: Preparation and application in extraction of trace perfluorinated compounds from environmental water samples.  Journal of Environmental Sciences,      [PMID:37980053] [10.1016/j.jes.2023.03.023]

2. Li Shun, Niu Airong, Lan Cuixia, Xu Xuanming, Sun Shukai, Xuan Chao, Zhao Peng, Tian Qingwu, Zhou Tingting.  (2022)  Sensitive and rapid detection of methotrexate in serum and saliva with MWCNT and STAC modified acetylene black paste electrode.  JOURNAL OF APPLIED ELECTROCHEMISTRY,  53  (3): (559-569).  [PMID:] [10.1007/s10800-022-01793-9]

3. Hong Yin, Ruya Chen, Haibo Wang, Cory Schwarz, Haotian Hu, Baoyou Shi, Yili Wang.  (2022)  Co-occurrence of phthalate esters and perfluoroalkyl substances affected bacterial community and pathogenic bacteria growth in rural drinking water distribution systems.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:36155042] [10.1016/j.scitotenv.2022.158943]

4. Facai Wei, Tingting Wang, Xiaolin Jiang, Yan Ai, Anyang Cui, Jing Cui, Jianwei Fu, Jiangong Cheng, Lecheng Lei, Yang Hou, Shaohua Liu.  (2020)  Controllably Engineering Mesoporous Surface and Dimensionality of SnO2 toward High-Performance CO2 Electroreduction.  ADVANCED FUNCTIONAL MATERIALS,  30  (39): (2002092).  [PMID:] [10.1002/adfm.202002092]

5. Jun Wang, Yanyang Qu, Feiyan Gong, Jinpeng Shen, Long Zhang.  (2019)  A promising strategy to obtain high energy output and combustion properties by self-activation of nano-Al.  COMBUSTION AND FLAME,      [PMID:] [10.1016/j.combustflame.2019.03.016]

6. Yunlu Pan, Suichu Huang, Feiran Li, Xuezeng Zhao, Weijie Wang.  (2018)  Coexistence of superhydrophilicity and superoleophobicity: theory, experiments and applications in oil/water separation.  Journal of Materials Chemistry A,  6  (31): (15057-15063).  [PMID:] [10.1039/C8TA04725A]

7. Huan Liu, Siyuan Di, Yunkang Liu, Zihan Li, Pin Chen, Shukui Zhu.  (2024)  Magnetic fluorinated mesoporous metal-organic frameworks for rapid derivatization-assisted GC–MS analysis of perfluoroalkyl carboxylic acids in harsh water environment.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39729865] [10.1016/j.chroma.2024.465612]

8. Ting Liu, Chunfeng Ma, Zheng Hu, Yinghong Huang, Xian Wang.  (2024)  Novel pillar[n]arenes magnetic nanoparticles: Preparation and application in quantitative analysis of trace perfluorinated compounds from aqueous samples.  ANALYTICA CHIMICA ACTA,      [PMID:39182971] [10.1016/j.aca.2024.343067]

9. Yujia Tang, Zhenchu Dan, Hui Sun, Xinyue Hu.  (2025)  Surfactant solubilization enhanced electrochemical degradation of a long-chain perfluoroalkyl substance: Applicability analysis.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2025.107039]

10. Li Bo, Chen Gengjia, Zhong Huihai, Li Tan, Lin Minzhao, Wei Huiye, Zhang Qiaoyun, Chen Qi, Huang Jinsheng, Shuai Xintao.  (2024)  γ-Glutamyl transpeptidase-activable nanoprobe crosses the blood-brain barrier for immuno-sonodynamic therapy of glioma.  Nature Communications,  15  (1): (1-19).  [PMID:39613729] [10.1038/s41467-024-54382-z]

11. Qiuying Tao, Xi Tan, Yinghong Huang, Zheng Hu, Yi Zhan, Jing Yang, Yihong Mai, Yusi Zhang, Xian Wang.  (2025)  Highly selective and sensitive detection of PFASs in environmental waters via novel magnetic covalent organic frameworks.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40939413] [10.1016/j.jcis.2025.138921]

12. Siyao Zhang, Lulei Zhang, Qinming Zhang, Chun Zhang, Guoqing Zhou, Lumei Gao, Nan Deng, Weidong Wu, Lingjie Meng.  (2025)  Pollution Characteristics and Ecological Risks of Perfluoroalkyl Substances at Key Discharge Points in the Wei River Basin.  Environmental Science-Water Research & Technology,      [PMID:] [10.1039/D5EW00771B]

13. Jian Song, Hai-Long Qian, Shu-Ting Xu, Cheng Yang, Xiu-Ping Yan.  (2025)  Room-Temperature Synthesis of a Multifunctional Covalent Organic Framework for Highly Efficient Extraction of Anionic Per- and Polyfluoroalkyl Substances.  ANALYTICAL CHEMISTRY,      [PMID:41348093] [10.1021/acs.analchem.5c05349]

14. Xiaoya Yuan, Lei Ouyang, Zhou Song, Xuelin Dong, Zhenli Zhu, Qin Shuai, Shenghong Hu.  (2026)  Superhydrophobicity-driven interfacial enrichment and SERS detection of PFOA on nano-Cu modified Ag foam.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:] [10.1016/j.jcis.2026.140405]