1,4-Cyclohexanedimethanol(CHDM) - ≥99%, mixture of cis and trans , CAS No.105-08-8

CAS: 105-08-8 Cat. No.: C105684 Fórmula: C₈H₁₆O₂ Peso molecular: 144.21 Beilstein Registry Number: 1902271 Número EC: 203-268-9

GRADE & PURITY ≥99%, mixture of cis and trans

Synonyms

1,4-Bis(hydroxymethyl)cyclohexane (cis- and trans- mixture) | α,α'-Dihydroxy-1,4-dimethylcyclohexane (cis- and trans- mixture) | 1, 4-bis (hydroxymethyl) cyclohexane (cis- and trans- mixture)

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

1,4-Cyclohexanedimethano is extensively used as cross-linking reagent in polymer industry.

Application:

1,4-Cyclohexanedimethanol has been used in the synthesis of polyketal copolymers. It was used as diol comonomer during the synthesis of polyester-carbonates based on 1,3-propylene-co-1,4-cyclohexanedimethylene succinate

Specifications

Sinónimos

1,4-Bis(hydroxymethyl)cyclohexane (cis- and trans- mixture) | α,α'-Dihydroxy-1,4-dimethylcyclohexane (cis- and trans- mixture) | 1, 4-bis (hydroxymethyl) cyclohexane (cis- and trans- mixture)

Especificaciones y pureza

≥99%, mixture of cis and trans

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504751439

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751439

Sonrisas canónicas

C1CC(CCC1CO)CO

IUPAC Name

[4-(hydroxymethyl)cyclohexyl]methanol

InChIKey

YIMQCDZDWXUDCA-UHFFFAOYSA-N

INCHI

1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2

Isómeros SMILES

C1CC(CCC1CO)CO

WGK Alemania

1

RTECS

GU9800000

Peso molecular

144.21

Beilstein

1902271

Reaxy-Rn

1902271

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902271&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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 ethanol, methanol and water
• Sensibilidad: Moisture sensitive
• Punto de inflamación (°F): 321.8 °F
• Punto de inflamación (°C): 161 °C
• Punto de ebullición (°C): 162°C/9.8mmHg
• Peso molecular: 144.210 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 73.300
• 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