1,3,5-Cyclohexanetriol (cis- and trans- mixture) - ≥95%(GC) , CAS No.2041-15-8

CAS: 2041-15-8 Cat. No.: C153243 Fórmula: C₆H₁₂O₃ Peso molecular: 132.16

GRADE & PURITY ≥95%(GC)

Synonyms

AKOS006276376 | A871571 | CAA04115 | trans-1,3,5-Trihydroxycyclohexane | FS-4315 | Q27461691 | SCHEMBL19307787 | SB83876 | Phloroglucitol | A-Trihydroxycyclohexane | A,3 | DTXSID00942577 | SCHEMBL36515 | 1-(4-phenyl-1h-imidazol-2-yl)cyclohexanamine | MFCD

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS006276376 | A871571 | CAA04115 | trans-1,3,5-Trihydroxycyclohexane | FS-4315 | Q27461691 | SCHEMBL19307787 | SB83876 | Phloroglucitol | A-Trihydroxycyclohexane | A,3 | DTXSID00942577 | SCHEMBL36515 | 1-(4-phenyl-1h-imidazol-2-yl)cyclohexanamine | MFCD

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

• Pubchem Sid: 488188809
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188809
• Sorrisos canónicos: C1C(CC(CC1O)O)O
• IUPAC Name: cyclohexane-1,3,5-triol
• InChIKey: FSDSKERRNURGGO-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2
• SMILES isoméricas: C1C(CC(CC1O)O)O
• Peso molecular: 132.16
• Reaxy-Rn: 2409424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2409424&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclitols and derivatives Polyols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclitol or derivatives - Cyclic alcohol - Polyol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

Propriedades químicas e físicas

• Peso molecular: 132.160 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 63.300
• 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

Referências

1. Liang Jian, Hui Zhao, Yuming Dong, Jing Xu, Qinyi Mao, Rong Ji, Zhuying Yan, Chengsi Pan, Guangli Wang, Yongfa Zhu.  (2022)  Graphite carbon ring modified carbon nitride with a strong built-in electric field for high photocatalysis-self-Fenton performance.  Catalysis Science & Technology,  12  (24): (7379-7388).  [PMID:] [10.1039/D2CY01709A]