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

CAS: 105-08-8 Cat. No.: C105684 分子式: C₈H₁₆O₂ 分子量: 144.21 Beilstein Registry Number: 1902271 EC番号: 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

概要

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

同義語

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)

仕様と純度

≥99%, mixture of cis and trans

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

504751439

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

C1CC(CCC1CO)CO

WGKドイツ

1

RTECS

GU9800000

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in ethanol, methanol and water
• 感度: Moisture sensitive
• 引火点（°F）: 321.8 °F
• 引火点（°C）: 161 °C
• 沸点（°C）: 162°C/9.8mmHg
• 分子量: 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