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

CAS: 822-67-3 Cat. No.: C137053 Formule: C₆H₁₀O Poids moléculaire: 98.15 Beilstein Registry Number: 6(2)60 Numéro 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

Synonymes

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-

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

504752432

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1CC=CC(C1)O

Poids moléculaire

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.49
• Point d'éclair (°F): 58°C
• Point d'éclair (°C): 58°C
• Point d'ébullition (°C): 166°C
• Point de fusion (°C): 164-166°C
• Poids moléculaire: 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