5-Hexina-3-ol - ≥90%(GC) , CAS No.19780-84-8

CAS: 19780-84-8 Cat. No.: H157361 Fórmula: C₆H₁₀O Peso molecular: 98.15 Número CE: 243-304-0

GRADE & PURITY ≥90%(GC)

Synonyms

5-Hexyn-3-ol, 97% | 1-Hexyn-4-ol | EINECS 243-304-0 | J-012775 | MFCD00041593 | NSC 244897 | AJYGRAORQSCNED-UHFFFAOYSA- | FT-0620452 | SY014082 | hex-5-yn-3-ol | InChI=1/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3 | 5-Hexyn-3-ol | AKOS009158125 | Ethyl propar

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Specifications

Sinónimos

5-Hexyn-3-ol, 97% | 1-Hexyn-4-ol | EINECS 243-304-0 | J-012775 | MFCD00041593 | NSC 244897 | AJYGRAORQSCNED-UHFFFAOYSA- | FT-0620452 | SY014082 | hex-5-yn-3-ol | InChI=1/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3 | 5-Hexyn-3-ol | AKOS009158125 | Ethyl propar

Especificações e pureza

≥90%(GC)

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥90%(GC)

Nomes e identificadores

• Pubchem Sid: 508809848
• Sorrisos canónicos: CCC(CC#C)O
• IUPAC Name: hex-5-yn-3-ol
• InChIKey: AJYGRAORQSCNED-UHFFFAOYSA-N
• INCHI: 1S/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3
• SMILES isoméricas: CCC(CC#C)O
• WGK Alemanha: 3
• Peso molecular: 98.15
• Reaxy-Rn: 1698904
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698904&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: Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Acetylide - Hydrocarbon derivative - Aliphatic acyclic 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

Propriedades químicas e físicas

• Sensibilidade: Heat sensitive;Air sensitive
• Índice de refração: 1.44
• Ponto de inflamação (°F): 109.4 °F
• Ponto de inflamação (°C): 43°C(lit.)
• Ponto de ebulição (°C): 139°C(lit.)
• Peso molecular: 98.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• 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: 77.400
• 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