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

CAS: 106-69-4 Cat. No.: H105564 分子式: C₆H₁₄O₃ 分子量: 134.17 Beilstein Registry Number: 1304479 EC番号: 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

Store at 2-8°C

Shipped In

Wet ice

概要

1,2,6-Hexanetriol is used as moisturizing agent (cremes), as solvent (pharmaceuticals) and as crosslinker in plastics. It is used as rocket propellant. It acts as wetting agent of tobacco and special hydraulic fluid. It is used in the production of alkyd resins, celluloid, polyurethane and synthetic rubber.

Specifications

同義語

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 |

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• パブケム・シド: 504751473
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504751473
• カノニカル・スマイル: 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
• 異性体SMILES: C(CCO)CC(CO)O
• WGKドイツ: 1
• RTECS: MO4650000
• UN番号: 1208
• 分子量: 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
    • 分類 Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Miscible in water and acetone. Soluble in methanol.
• 感度: Moisture sensitive.
• 屈折率: 1.476
• 引火点（°F）: 174.2 °F
• 引火点（°C）: 198℃
• 沸点（°C）: 178°C
• 融点（°C）: 25-32°C
• 分子量: 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

参考文献

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]