Ciclo-hexanometanol - ≥99% , CAS No.100-49-2

CAS: 100-49-2 Cat. No.: C106975 Fórmula: C₇H₁₄O Peso molecular: 114.19 Beilstein Registry Number: 773712 Número CE: 202-857-8

GRAU & PUREZA ≥99%

Synonyms

Cyclohexylmethyl alcohol | Cyclohexylcarbinol | (Hydroxymethyl)cyclohexane | Hydroxymethylcyclohexane | Cyclohexanecarbinol | Benzyl alcohol, hexahydro- | USAF DO-49 | CYCLOHEXANEMETHANOL | Hexahydrobenzyl alcohol | 100-49-2 | Methanol, cyclohexyl-

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Cyclohexylmethyl alcohol | Cyclohexylcarbinol | (Hydroxymethyl)cyclohexane | Hydroxymethylcyclohexane | Cyclohexanecarbinol | Benzyl alcohol, hexahydro- | USAF DO-49 | CYCLOHEXANEMETHANOL | Hexahydrobenzyl alcohol | 100-49-2 | Methanol, cyclohexyl-

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504751372

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751372

Sorrisos canónicos

C1CCC(CC1)CO

IUPAC Name

cyclohexylmethanol

InChIKey

VSSAZBXXNIABDN-UHFFFAOYSA-N

INCHI

1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2

SMILES isoméricas

C1CCC(CC1)CO

WGK Alemanha

1

RTECS

GV5075000

Peso molecular

114.19

Beilstein

773712

Reaxy-Rn

773712

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773712&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Ether, Alcohols.
• Índice de refração: 1.4649
• Ponto de inflamação (°F): 170.6 °F
• Ponto de inflamação (°C): 71℃
• Ponto de ebulição (°C): 182°C
• Peso molecular: 114.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 114.104 Da
• Monoisotopic Mass: 114.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.400
• 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