1,6-Hexanediol - Standard for GC , CAS No.629-11-8

CAS: 629-11-8 Cat. No.: H103707 Summenformel: C₆H₁₄O₂ Molekulargewicht: 118.17 Beilstein Registry Number: 1633461 EG-Nummer: 211-074-0

GRADE & PURITY Standard for GC

Synonyms

AI3-03307 | CAS-629-11-8 | H0099 | .omega.-Hexanediol | 1,6hexanediol | 1,6-HEXANEDIOL | A834086 | Hexane-1,6-diol | NCGC00258004-01 | 1,6-hexandiol | 1,6-hexan-diol | HEXAMETHYLENE GLYCOL [MI] | InChI=1/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H | EINECS 211-07

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

1,6-hexanediol is a versatile chemical compound commonly used in the polymer industry. It is used as a building block or monomer for the synthesis of various polymers and polymer-based materials. For instance, it can be used in the production of polyesters, polyurethanes, and polyamides, among others. These polymers find applications in a wide range of industries, including automotive, textiles, coatings, adhesives, and sealants. 

Application

1,6-Hexanediol can be used for a variety of applications such as: a structure-directing agent for the synthesis of ZSM-5 zeolite； a solvent for titanium tetra-isopropoxide to form titanium oxide (TiO2) nanocrystals； a phase change material in combination with lauric acid for thermal energy storage applications； 1,6-hexanediol can also be used in the synthesis of a specific type of biopolymer called poly(3-hydroxybutyrate-co-4-hydroxybutyrate) (PHB4HB) which is used for some medical applications. It is also used as a component in the formulation of the gel polymer electrolyte. It may act as a crosslinking agent or a plasticizer to facilitate the formation of a stable and conductive gel polymer electrolyte for sodium metal batteries.

Specifications

Synonyme

AI3-03307 | CAS-629-11-8 | H0099 | .omega.-Hexanediol | 1,6hexanediol | 1,6-HEXANEDIOL | A834086 | Hexane-1,6-diol | NCGC00258004-01 | 1,6-hexandiol | 1,6-hexan-diol | HEXAMETHYLENE GLYCOL [MI] | InChI=1/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H | EINECS 211-07

Spezifikationen & Reinheit

Standard for GC

Storage

Room temperature,Argon charged

Verschickt in

Normal

Note

Standard for GC

Namen und Kennungen

Pubchem Sid

508807120

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807120

Kanonisches Lächeln

C(CCCO)CCO

IUPAC Name

hexane-1,6-diol

InChIKey

XXMIOPMDWAUFGU-UHFFFAOYSA-N

INCHI

1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

Isomere SMILES

C(CCCO)CCO

WGK Deutschland

1

RTECS

MO2100000

Molekulargewicht

118.17

Beilstein

1633461

Reaxy-Rn

1633461

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633461&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: 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: primary alcohol - diol

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Brechungsindex: 1.4579
• Flammpunkt (°F): 215.06℉
• Flammpunkt (°C): 101.7℃
• Siedepunkt (°C): 208°C
• Schmelzpunkt (°C): 42.8°C
• Molekulargewicht: 118.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 118.099 Da
• Monoisotopic Mass: 118.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 31.500
• 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