4-Ethyl-1-octyn-3-ol - ≥97%(GC) , CAS No.5877-42-9

CAS: 5877-42-9 Cat. No.: E156477 Formula: C₁₀H₁₈O Peso molecolare: 154.25 Numero EC: 227-545-9

QUALITÀ & PUREZZA ≥97%(GC)

Synonyms

4-Ethyl-1-octyn-3-ol | 4-Ethyl-3-hydroxy-1-octyne | 4-Ethyl-1-octyn-3-0l | 4-Ethyloct-1-yn-3-ol | (2-Ethyl-1-hydroxyhexyl)acetylene

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

4-Ethyl-1-octyn-3-ol | 4-Ethyl-3-hydroxy-1-octyne | 4-Ethyl-1-octyn-3-0l | 4-Ethyloct-1-yn-3-ol | (2-Ethyl-1-hydroxyhexyl)acetylene

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

528759939

Sorrisi canonici

CCCCC(CC)C(C#C)O

IUPAC Name

4-ethyloct-1-yn-3-ol

InChIKey

CUUQUEAUUPYEKK-UHFFFAOYSA-N

INCHI

1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3

Isomeri SMILES

CCCCC(CC)C(C#C)O

Peso molecolare

154.25

Reaxy-Rn

1750263

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750263&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - Acetylide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.45
• Punto di ebollizione (°C): 126°C/50mmHg(lit.)
• Peso molecolare: 154.250 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 131.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1