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

CAS: 17356-19-3 Cat. No.: E106165 Molecular Weight: 110.15 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C#CC1(CCCC1)O
• WGK Germany: 3
• UN Number: 1986
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclopentanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Refractive Index: 1.4735-1.4755
• Flash Point(°F): 120.2 °F
• Flash Point(°C): 48℃
• Boil Point(°C): 156-159°C
• Melt Point(°C): 27°C
• Molecular Weight: 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