Cyclohexanol - CP, ≥97% , CAS No.108-93-0

CAS: 108-93-0 Cat. No.: C110400 分子式: C₆H₁₂O 分子量: 100.16 Beilstein Registry Number: 906744 EC番号: 203-630-6

GRADE & PURITY CP, ≥97%

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

Specifications

同義語

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 |

仕様と純度

CP, ≥97%

保管条件

Room temperature

入荷

Normal

等級

CP

純度

≥97%

名前と識別子

パブケム・シド

508814735

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508814735

カノニカル・スマイル

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

異性体SMILES

C1CCC(CC1)O

WGKドイツ

1

RTECS

GV7875000

UN番号

1986

包装グループ

I

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water, miscible with ethanol, ether, benzene, ethyl acetate, carbon disulfide, oils, etc.
• 感度: Moisture sensitive.
• 屈折率: 1.465
• 引火点（°F）: 68℃
• 引火点（°C）: 68℃
• 沸点（°C）: 161°C
• 融点（°C）: 22°C
• 分子量: 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