Cyclohexanol - Standard for GC, ≥99%(GC) , CAS No.108-93-0

CAS: 108-93-0 Cat. No.: C110399 Fórmula: C₆H₁₂O Peso molecular: 100.16 Beilstein Registry Number: 906744 Número EC: 203-630-6

CALIDAD & PUREZA Standard for GC, ≥99%(GC)

Synonyms

BBL013186 | CYCLOHEXANOL [MI] | Cyclohexanol, JIS special grade, >=98.0% | 1-Cyclohexanol | Anol | BDBM5 | BRN 0906744 | Cyclohexane, hydroxy- | NCGC00090982-02 | SMR000677941 | Cyanomethylthioacetic acid | Cykloheksanol | EINECS 203-630-6 | FT-0624192 |

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

BBL013186 | CYCLOHEXANOL [MI] | Cyclohexanol, JIS special grade, >=98.0% | 1-Cyclohexanol | Anol | BDBM5 | BRN 0906744 | Cyclohexane, hydroxy- | NCGC00090982-02 | SMR000677941 | Cyanomethylthioacetic acid | Cykloheksanol | EINECS 203-630-6 | FT-0624192 |

Especificaciones y pureza

Standard for GC, ≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Standard for GC

Pureza

≥99%(GC)

Nombres e identificadores

Pubchem Sid

508814734

Sonrisas canónicas

C1CCC(CC1)O

IUPAC Name

cyclohexanol

InChIKey

HPXRVTGHNJAIIH-UHFFFAOYSA-N

INCHI

1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

Isómeros SMILES

C1CCC(CC1)O

WGK Alemania

1

RTECS

GV7875000

Número ONU

1986

Grupo de embalaje

I

Peso molecular

100.16

Beilstein

906744

Reaxy-Rn

906744

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906744&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: 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: a small molecule

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

Objetivos asociados (humanos)

HepG2 (196354 Activities)

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water, miscible with ethanol, ether, benzene, ethyl acetate, carbon disulfide, oils, etc.
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.465
• Punto de inflamación (°F): 68℃
• Punto de inflamación (°C): 68℃
• Punto de ebullición (°C): 161°C
• Punto de fusión (°C): 22°C
• Peso molecular: 100.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.089 Da
• Monoisotopic Mass: 100.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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