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

CAS: 2041-15-8 Cat. No.: C153243 Summenformel: C₆H₁₂O₃ Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

• Pubchem Sid: 488188809
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188809
• Kanonisches Lächeln: 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
• Isomere SMILES: C1C(CC(CC1O)O)O
• Molekulargewicht: 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
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols
        • Ebene5 Secondary alcohols
          • Ebene6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Referenzen

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]