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

CAS: 105-08-8 Cat. No.: C105684 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,Cool

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, Cool

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

Referencias

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