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

CAS: 108-93-0 Cat. No.: C110399 Formule: C₆H₁₂O Poids moléculaire: 100.16 Beilstein Registry Number: 906744 Numéro CE: 203-630-6

QUALITÉ & PURETÉ 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

Spécifications

Synonymes

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 |

Spécifications et pureté

Standard for GC, ≥99%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Standard for GC

Pureté

≥99%(GC)

Noms et identifiants

Pubchem Sid

508814734

Sourires canoniques

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

Isomères SMILES

C1CCC(CC1)O

WGK Allemagne

1

RTECS

GV7875000

Numéro ONU

1986

Groupe d'emballage

I

Poids moléculaire

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
    • 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: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: 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

Cibles associées (humaines)

HepG2 (196354 Activities)

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water, miscible with ethanol, ether, benzene, ethyl acetate, carbon disulfide, oils, etc.
• Sensibilité: Moisture sensitive.
• Indice de réfraction: 1.465
• Point d'éclair (°F): 68℃
• Point d'éclair (°C): 68℃
• Point d'ébullition (°C): 161°C
• Point de fusion (°C): 22°C
• Poids moléculaire: 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