1,5-Hexadiene-3,4-diol (Mixture of isomers,stabilized with HQ) - ≥95%(GC) , CAS No.1069-23-4

CAS: 1069-23-4 Cat. No.: H157283 Peso molecular: 114.14 Número EC: 213-955-5

GRADE & PURITY ≥95%(GC)

Synonyms

AS-11750 | Z957Z497HK | 1,5-HEXADIENE,3,4-DIHYDROXY- | NSC 60695 | Divinylglycol | FT-0606435 | Divinylethylene Glycol | 1,5-Hexadiene-3,4-diol (stabilized with HQ) | SB18658 | 1,2-Divinylglycol | A801535 | AI3-14412 | Divinylglykol | Hexa-1,5-diene-3,4-d

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AS-11750 | Z957Z497HK | 1, 5-HEXADIENE, 3, 4-DIHYDROXY- | NSC 60695 | Divinylglycol | FT-0606435 | Divinylethylene Glycol | 1, 5-Hexadiene-3, 4-diol (stabilized with HQ) | SB18658 | 1, 2-Divinylglycol | A801535 | AI3-14412 | Divinylglykol | Hexa-1, 5-diene-3, 4-d

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(GC)

Nombres e identificadores

• Sonrisas canónicas: C=CC(C(C=C)O)O
• IUPAC Name: hexa-1,5-diene-3,4-diol
• InChIKey: KUQWZSZYIQGTHT-UHFFFAOYSA-N
• INCHI: 1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2
• Isómeros SMILES: C=CC(C(C=C)O)O
• Peso molecular: 114.14
• Reaxy-Rn: 1616450
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1616450&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• 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: Soluble in Methanol
• Sensibilidad: Light Sensitive,Heat Sensitive
• Índice de refracción: 1.48
• Punto de inflamación (°F): 197.6℉
• Punto de inflamación (°C): 92°C(lit.)
• Punto de ebullición (°C): 198°C(lit.)
• Peso molecular: 114.140 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1