1-Nonen-3-ol - ≥97%(GC) , CAS No.21964-44-3

CAS: 21964-44-3 Cat. No.: N159702 Peso molecular: 142.24 Número EC: 244-686-1

GRADE & PURITY ≥97%(GC)

Synonyms

nonene-1-ol-3 | J-014376 | MFCD00021953 | Non-1-en-3-ol | AKOS009156593 | Hexylvinylcarbinol | 1-Nonen-3-ol | 1-Nonene-3-ol | WAA96444 | DTXSID30865023 | 1-Vinylheptanol | N0451 | NSC102782 | NSC-102782 | UNII-0GKA6U7Q9G | NSC 102782 | Q27236759 | (+/-)-1

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

nonene-1-ol-3 | J-014376 | MFCD00021953 | Non-1-en-3-ol | AKOS009156593 | Hexylvinylcarbinol | 1-Nonen-3-ol | 1-Nonene-3-ol | WAA96444 | DTXSID30865023 | 1-Vinylheptanol | N0451 | NSC102782 | NSC-102782 | UNII-0GKA6U7Q9G | NSC 102782 | Q27236759 | (+/-)-1

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCCC(C=C)O
• IUPAC Name: non-1-en-3-ol
• InChIKey: DWUPJMHAPOQKGJ-UHFFFAOYSA-N
• INCHI: 1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3
• Isómeros SMILES: CCCCCCC(C=C)O
• Peso molecular: 142.24
• Reaxy-Rn: 1745976
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745976&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: 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: Fatty alcohols

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

Propiedades químicas y físicas

• Punto de inflamación (°F): 84°C(lit.)
• Punto de inflamación (°C): 84°C
• Punto de ebullición (°C): 192-194°
• Peso molecular: 142.240 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 142.136 Da
• Monoisotopic Mass: 142.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 78.800
• 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