1-Ethynylcyclopentanol - ≥98% , CAS No.17356-19-3

CAS: 17356-19-3 Cat. No.: E106165 Formule: C₇H₁₀O Poids moléculaire: 110.15 Numéro CE: 241-385-7

GRADE & PURITY ≥98%

Synonyms

DTXSID2066191 | 1-ethynyl-cyclopentan-1-ol | 1-ethynylcyclopentan-1-ol | 6LB5RD2XU4 | 1-Ethynylcyclopentanol, 98% | Cyclopentyl ethynyl carbinol | UNII-6LB5RD2XU4 | AKOS005454374 | FT-0607767 | MLS000552719 | SY061841 | A881756 | AI3-37705 | AB91835 | NSC

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

DTXSID2066191 | 1-ethynyl-cyclopentan-1-ol | 1-ethynylcyclopentan-1-ol | 6LB5RD2XU4 | 1-Ethynylcyclopentanol, 98% | Cyclopentyl ethynyl carbinol | UNII-6LB5RD2XU4 | AKOS005454374 | FT-0607767 | MLS000552719 | SY061841 | A881756 | AI3-37705 | AB91835 | NSC

Spécifications et pureté

≥98%

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

≥98%

Noms et identifiants

Sourires canoniques

C#CC1(CCCC1)O

IUPAC Name

1-ethynylcyclopentan-1-ol

InChIKey

LQMDOONLLAJAPZ-UHFFFAOYSA-N

INCHI

1S/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2

Isomères SMILES

C#CC1(CCCC1)O

WGK Allemagne

3

Numéro ONU

1986

Poids moléculaire

110.15

Reaxy-Rn

1924167

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1924167&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclopentanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclopentanols
• Alternative Parents: Ynones Tertiary alcohols Cyclic alcohols and derivatives Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ynone - Cyclopentanol - Tertiary alcohol - Cyclic alcohol - Acetylide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclopentanols. These are compounds containing a cyclopentane ring that carries an alcohol group.
• 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Indice de réfraction: 1.4735-1.4755
• Point d'éclair (°F): 120.2 °F
• Point d'éclair (°C): 48℃
• Point d'ébullition (°C): 156-159°C
• Point de fusion (°C): 27°C
• Poids moléculaire: 110.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.073 Da
• Monoisotopic Mass: 110.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 123.000
• 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