2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol - ≥98%(GC) , CAS No.355-74-8

CAS: 355-74-8 Cat. No.: O159973 Molecular Weight: 262.1 Beilstein Registry Number: 1(4)2559 EC Number: 670-345-5

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0609067 | (1E)-1-[(E)-3-phenylprop-2-enylidene]indene | DTXSID60188999 | C6H6F8O2 | SY050183 | BP-21497 | 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol | 1h,1h,6h,6h-perfluoro-1,6-hexanediol | BS-22777 | 1H,1H,6H,6H-Perfluorohexane-1,6-diol | A822878 | D91

Storage

Room temperature

Shipped In

Normal

Overview

Application：

2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol is used as a pharmaceutical intermediate.

Specifications

Synonyms

FT-0609067 | (1E)-1-[(E)-3-phenylprop-2-enylidene]indene | DTXSID60188999 | C6H6F8O2 | SY050183 | BP-21497 | 2, 2, 3, 3, 4, 4, 5, 5-octafluorohexane-1, 6-diol | 1h, 1h, 6h, 6h-perfluoro-1, 6-hexanediol | BS-22777 | 1H, 1H, 6H, 6H-Perfluorohexane-1, 6-diol | A822878 | D91

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488187848
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187848
• Canonical Smiles: C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)O
• IUPAC Name: 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol
• InChIKey: NHEKBXPLFJSSBZ-UHFFFAOYSA-N
• INCHI: 1S/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2
• Isomeric SMILES: C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)O
• Molecular Weight: 262.1
• Beilstein: 1(4)2559
• Reaxy-Rn: 1784039
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1784039&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Halohydrins
      • Subclass Fluorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Halohydrins
• Subclass: Fluorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorohydrins
• Alternative Parents: Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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: Soluble in water.
• Boil Point(°C): 100 °C/3 mmHg (lit.)
• Melt Point(°C): 66-70°C
• Molecular Weight: 262.100 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 262.024 Da
• Monoisotopic Mass: 262.024 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 225.000
• 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. Yue Qin, Mengdi Chen, Jinzhao Li, Yuechuan Wang.  (2022)  Synthesis and properties of cycloaliphatic diepoxides containing fluorinated linker.  JOURNAL OF APPLIED POLYMER SCIENCE,  139  (41): (e52996).  [PMID:] [10.1002/app.52996]

2. Fenglong Li, Zhengyang Kong, Xiaolin Wang, Guyue Wang, Chao Chen, Ying Tian, Zhiyi Lyu, Kyung Jin Lee, Do Hwan Kim, Jung-Yong Lee, Jin Zhu, Wu Bin Ying.  (2024)  A bio-based, sweat-resistant and markedly sensitive iontronic skin for advancing central sleep apnea monitoring.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150541]

3. Liqiang Xu, Shuren Shao, Xingyuan Lu, Dong Wang, Aimin Zhang, Jihai Zhang.  (2024)  Wrinkle-enabled hydrophobic underwater stable ionic skin with unique positive resistance effect.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.153454]

4. Ying Wu Bin, Kim Joo Sung, Kong Zhengyang, Yu Zhe, Boahen Elvis K., Li Fenglong, Chen Chao, Tian Ying, Kim Ji Hong, Choi Hanbin, Lee Jung-Yong, Zhu Jin, Kim Do Hwan.  (2025)  A reconfigurable piezo-ionotropic polymer membrane for sustainable multi-resonance acoustic sensing.  Nature Communications,  16  (1): (1-13).  [PMID:40897692] [10.1038/s41467-025-63643-4]

5. Zhengen Wei, Lianghao Jia, Ya Zhang, Tao Xiang, Shaobing Zhou.  (2026)  Recyclable Ionogel with Shape Memory-Assisted Healing Microstructure for Highly Sensitive Ionotronic Pressure Sensor.  Small,      [PMID:41489561] [10.1002/smll.202512853]