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

CAS: 108-93-0 Cat. No.: C110399 분자식: C₆H₁₂O 분자량: 100.16 Beilstein Registry Number: 906744 EC 번호: 203-630-6

등급 & 순도 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

사양

동의어

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 |

사양 및 순도

Standard for GC, ≥99%(GC)

보관 조건

Room temperature

배송

Normal

등급

Standard for GC

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

508814734

정식 스마일

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

이성체 SMILES

C1CCC(CC1)O

WGK 독일

1

RTECS

GV7875000

UN 번호

1986

포장 그룹

I

분자량

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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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작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water, miscible with ethanol, ether, benzene, ethyl acetate, carbon disulfide, oils, etc.
• 감도: Moisture sensitive.
• 굴절률: 1.465
• 발화점(°F): 68℃
• 발화점(°C): 68℃
• 끓는점(°C): 161°C
• 녹는점(°C): 22°C
• 분자량: 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