trans-1,4-Cyclohexanedimethanol - ≥98%(GC) , CAS No.3236-48-4

CAS: 3236-48-4 Cat. No.: T162676 分子式: C₈H₁₆O₂ 分子量: 144.21 Beilstein Registry Number: 6(4)5238 EC番号: 692-674-3

GRADE & PURITY ≥98%(GC)

Synonyms

(4-Hydroxymethylcyclohexyl)methanol | 1,4-Bis(hydroxymethyl)cyclohexane,c&t | Q27259032 | SCHEMBL27912 | 1,4-dihydroxymethylcyclohexane | 1,4-Cyclohexanedimethanol, cis- | 1,4-Cyclohexanedimethanol,c&t | Cyclohexane-1,4-dimethanol,c&t | HSDB 5364 | W-1087

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

(4-Hydroxymethylcyclohexyl)methanol | 1,4-Bis(hydroxymethyl)cyclohexane,c&t | Q27259032 | SCHEMBL27912 | 1,4-dihydroxymethylcyclohexane | 1,4-Cyclohexanedimethanol, cis- | 1,4-Cyclohexanedimethanol,c&t | Cyclohexane-1,4-dimethanol,c&t | HSDB 5364 | W-1087

仕様と純度

≥98%(GC)

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

488180546

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180546

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

分子量

144.21

Beilstein

6(4)5238

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 Methanol
• 感度: Hygroscopic
• 沸点（°C）: 164 °C/12 mmHg
• 融点（°C）: 67 °C
• 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