Beta-Pineno - ≥95% , CAS No.127-91-3

CAS: 127-91-3 Cat. No.: B190445 Fórmula: C₁₀H₁₆ Peso molecular: 136.23 Número EC: 204-872-5

GRADE & PURITY ≥95%

Synonyms

FT-0637924 | Pseudopineno | (+/-)-beta-PINENO | .beta.-Pineno | EN300-95729 | P0441 | Pseudopineno | Q300928 | C09882 | AKOS004119987 | (1)-6,6-Dimetil-2-metilenobiciclo(3.1.1)heptano | AKOS016843693 | BETA-PINENO | beta-Pineno (puro) | Biciclo[3.1.1]hep

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

Consulte el certificado de análisis del producto para obtener más información sobre la técnica instrumental adecuada. Póngase en contacto con el Servicio Técnico para obtener más ayuda

Specifications

Sinónimos

FT-0637924 | Pseudopineno | (+/-)-beta-PINENO | .beta.-Pineno | EN300-95729 | P0441 | Pseudopineno | Q300928 | C09882 | AKOS004119987 | (1)-6,6-Dimetil-2-metilenobiciclo(3.1.1)heptano | AKOS016843693 | BETA-PINENO | beta-Pineno (puro) | Biciclo[3.1.1]hep

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504752613

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752613

Sonrisas canónicas

CC1(C2CCC(=C)C1C2)C

IUPAC Name

6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

InChIKey

WTARULDDTDQWMU-UHFFFAOYSA-N

INCHI

1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

Isómeros SMILES

CC1(C2CCC(=C)C1C2)C

Número ONU

2319

Grupo de embalaje

III

Peso molecular

136.23

Reaxy-Rn

1362266

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362266&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pinane monoterpenoid - Bicyclic monoterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• External Descriptors: pinene

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

Objetivos asociados (no humanos)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 136.230 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125 Da
• Monoisotopic Mass: 136.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 176.000
• 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