1,2,6-Hexanetriol - ≥97% , CAS No.106-69-4

CAS: 106-69-4 Cat. No.: H105564 Fórmula: C₆H₁₄O₃ Peso molecular: 134.17 Beilstein Registry Number: 1304479 Número EC: 203-424-6

GRADE & PURITY ≥97%

Synonyms

Hexanetriol-1,2,6 | 4-01-00-02784 (Beilstein Handbook Reference) | Q18018076 | 1,6-Hexanetriol | NSC404957 | NSC-404957 | Q-200059 | 1,2,6-Trihydroxyhexane, >=95% | FT-0606267 | WLN: Q4YQ & 1Q | Hexane-1,6-triol | NSC 404957 | H1069 | Hexane-1,2,6-triol |

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

el 1,2,6-hexanetriol se utiliza como agente hidratante (cremas), como disolvente (productos farmacéuticos) y como reticulante en plásticos. Se utiliza como propulsor de cohetes. Actúa como agente humectante del tabaco y fluido hidráulico especial. Se utiliza en la producción de resinas alquídicas, celuloide, poliuretano y caucho sintético.

Specifications

Sinónimos

Hexanetriol-1,2,6 | 4-01-00-02784 (Beilstein Handbook Reference) | Q18018076 | 1,6-Hexanetriol | NSC404957 | NSC-404957 | Q-200059 | 1,2,6-Trihydroxyhexane, >=95% | FT-0606267 | WLN: Q4YQ & 1Q | Hexane-1,6-triol | NSC 404957 | H1069 | Hexane-1,2,6-triol |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504751473
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751473
• Sonrisas canónicas: C(CCO)CC(CO)O
• IUPAC Name: hexane-1,2,6-triol
• InChIKey: ZWVMLYRJXORSEP-UHFFFAOYSA-N
• INCHI: 1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2
• Isómeros SMILES: C(CCO)CC(CO)O
• WGK Alemania: 1
• RTECS: MO4650000
• Número ONU: 1208
• Peso molecular: 134.17
• Beilstein: 1304479
• Reaxy-Rn: 1304479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1304479&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols Polyols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - Polyol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon 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

Propiedades químicas y físicas

• Solubilidad: Miscible in water and acetone. Soluble in methanol.
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.476
• Punto de inflamación (°F): 174.2 °F
• Punto de inflamación (°C): 198℃
• Punto de ebullición (°C): 178°C
• Punto de fusión (°C): 25-32°C
• Peso molecular: 134.170 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 134.094 Da
• Monoisotopic Mass: 134.094 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 56.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yang Xiong, Lili Liu, Chengyao Hu, Junxiao Yang, Yawen Huang.  (2023)  Hot-Pressing/Salt-Leaching Method Assisted by Boronic Ester Dynamic Bond to Prepare Vitrimer Foams with Ultra-Low Relative Permittivity and Superhydrophobic Performance.  MACROMOLECULAR CHEMISTRY AND PHYSICS,  224  (14): (2300042).  [PMID:] [10.1002/macp.202300042]