1-Vinyl cyclohexanol - ≥97% , CAS No.1940-19-8

CAS: 1940-19-8 Cat. No.: V468897 Summenformel: H₂C=CHC₆H₁₀OH Molekulargewicht: 126.2 EG-Nummer: 217-718-7 PubChem CID: 74741

GRADE & PURITY ≥97%

Synonyms

1-Vinyl-cyclohexanol-(1) | EN300-631618 | 1-Vinylcyclohexyl alcohol | 1-Ethenylcyclohexanol | SCHEMBL493926 | AI3-25140 | Cyclohexanol, 1-ethenyl- | AKOS013154331 | F78074 | NCIOpen2_003732 | 1-ethenylcyclohexan-1-ol | 4-06-00-00222 (Beilstein Handbook Re

Storage

Room temperature

Übersicht

Description

1-Vinyl cyclohexanol, also known as 1-vinyl-1-cyclohexanol, is a tertiary allylic alcohol. It can be synthesized from cyclohexanone and vinyl chloride. It can undergo transition-metal-free tandem allylic borylation in the presence of B2pin [bis(pinacolato)diboron], Cs2CO3, THF and MeOH to yield triborated product. Pd-fullerite catalysts have been prepared which effectively catalyzes the hydrogenation of 1-ethynyl-1-cyclohexanol to 1-vinyl-1-cyclohexanol.1-Vinyl cyclohexanol may be used to synthesize:1-vinyl-1-cyclohexene1-vinyl-1-cyclohexylacrylatecyclohexylideneacetaldehyde

Specifications

Synonyme

1-Vinyl-cyclohexanol-(1) | EN300-631618 | 1-Vinylcyclohexyl alcohol | 1-Ethenylcyclohexanol | SCHEMBL493926 | AI3-25140 | Cyclohexanol, 1-ethenyl- | AKOS013154331 | F78074 | NCIOpen2_003732 | 1-ethenylcyclohexan-1-ol | 4-06-00-00222 (Beilstein Handbook Re

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C=CC1(CCCCC1)O

IUPAC Name

1-ethenylcyclohexan-1-ol

InChIKey

ZXKHOVDDJMJXQP-UHFFFAOYSA-N

INCHI

1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2

Isomere SMILES

C=CC1(CCCCC1)O

WGK Deutschland

3

RTECS

GW0890000

PubChem CID

74741

Molekulargewicht

126.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols
        • Ebene5 Secondary alcohols
          • Ebene6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Tertiary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 158 °F
• Flammpunkt (°C): 70 °C
• Molekulargewicht: 126.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 126.104 Da
• Monoisotopic Mass: 126.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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