Farneseno (mezcla de isómeros) - ≥98% , CAS No.502-61-4

CAS: 502-61-4 Cat. No.: F338094 Peso molecular: 204.35 Beilstein Registry Number: 131067 Número EC: 207-948-6

GRADE & PURITY ≥98%

Synonyms

(3E,6E)-3,7,11-trimetildodeca-1,3,6,10-tetraeno | alfa-farneseno (natural) | alfa-farneseno | (E,E)-alfa-farneseno | (3E,6E)-alfa-farneseno | .alpha.-farneseno | farneseno | (E)-alfa-farneseno

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Descripción general

El farneseno (mezcla de isómeros) se utiliza en la regulación de los procesos metabólicos del superóxido. Es un terpeno que se encuentra de forma natural en manzanas, naranjas, mandarinas, pomelos, uvas, limas, jengibre, albahaca y nuez moscada, entre otros. Es lo que comúnmente se identifica como el olor a "manzana verde". También se utiliza como feromona de insectos para muchas especies y se ha determinado que actúa como elemento disuasorio de los pulgones.

Specifications

Sinónimos

(3E, 6E)-3, 7, 11-trimetildodeca-1, 3, 6, 10-tetraeno | alfa-farneseno (natural) | alfa-farneseno | (E, E)-alfa-farneseno | (3E, 6E)-alfa-farneseno | .alpha.-farneseno | farneseno | (E)-alfa-farneseno

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195239
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195239
• Sonrisas canónicas: CC(=CCCC(=CCC=C(C)C=C)C)C
• IUPAC Name: (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
• InChIKey: CXENHBSYCFFKJS-VDQVFBMKSA-N
• INCHI: 1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
• Isómeros SMILES: CC(=CCC/C(=C/C/C=C(\C)/C=C)/C)C
• WGK Alemania: 3
• CAS alternativo: 17627-44-0, 502-61-4, 18794-84-8
• Peso molecular: 204.35
• Beilstein: 131067
• Reaxy-Rn: 1702194
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702194&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Alkatetraenes Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Alkatetraene - Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Acyclic olefin - Hydrocarbon - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Farnesenes

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

• Sensibilidad: light sensitive
• Índice de refracción: n20D1.490 (lit.)
• Punto de ebullición (°C): 260° C (lit.)
• Peso molecular: 204.350 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 204.188 Da
• Monoisotopic Mass: 204.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Referencias

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