2-Cyclohexen-1-ol - ≥95%(GC) , CAS No.822-67-3

CAS: 822-67-3 Cat. No.: C137053 Fórmula: C₆H₁₀O Peso molecular: 98.15 Beilstein Registry Number: 6(2)60 Número CE: 212-501-3

GRADE & PURITY ≥95%(GC)

Synonyms

AKOS015840757 | SB83780 | SY030184 | 2-Cyclohexen-1-ol, 95% | 2-Cyclohexene-1-ol | EN300-103787 | BCP18001 | cyclohex-2-enol | MFCD00001570 | DTXSID00870780 | J-509237 | 2-Cyclohexenol | BBL102891 | Cyclohex-2-ene-1-ol | BDBM50561638 | (-)-2-cyclohexen-1-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS015840757 | SB83780 | SY030184 | 2-Cyclohexen-1-ol, 95% | 2-Cyclohexene-1-ol | EN300-103787 | BCP18001 | cyclohex-2-enol | MFCD00001570 | DTXSID00870780 | J-509237 | 2-Cyclohexenol | BBL102891 | Cyclohex-2-ene-1-ol | BDBM50561638 | (-)-2-cyclohexen-1-

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

504752432

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752432

Sorrisos canónicos

C1CC=CC(C1)O

IUPAC Name

cyclohex-2-en-1-ol

InChIKey

PQANGXXSEABURG-UHFFFAOYSA-N

INCHI

1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2

SMILES isoméricas

C1CC=CC(C1)O

Peso molecular

98.15

Beilstein

6(2)60

Reaxy-Rn

5240533

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5240533&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: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.49
• Ponto de inflamação (°F): 58°C
• Ponto de inflamação (°C): 58°C
• Ponto de ebulição (°C): 166°C
• Ponto de fusão (°C): 164-166°C
• Peso molecular: 98.140 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 76.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1