(−)-Isolongifolene - ≥98%(GC), sum of enantiomers , CAS No.1135-66-6

CAS: 1135-66-6 Cat. No.: I465381 Fórmula: C₁₅H₂₄ Peso molecular: 204.35 Número CE: 214-494-2

GRADE & PURITY ≥98%(GC), sum of enantiomers

Synonyms

Tox21_302253 | (-)-Isolongifolene | 2H-2alpha,4aalpha-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (+/-)- | 2H-2.ALPHA.,4A.ALPHA.-METHANONAPHTHALENE, 1,3,4,5,6,7-HEXAHYDRO-1,1,5,5-TETRAMETHYL-, (+/-)- | NCGC00255851-01 | 2H-2,4a-Methano

Storage

Room temperature

Visão geral

Description

(-)-Isolongifolene is a sesquiterpene that can be found in pine cone and Japanese cedar essential oils.(-)-Isolongifolene may be used in the preparation of (-)-isolongifolenone, a potent insect repellent.

Specifications

Sinónimos

Tox21_302253 | (-)-Isolongifolene | 2H-2alpha,4aalpha-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (+/-)- | 2H-2.ALPHA.,4A.ALPHA.-METHANONAPHTHALENE, 1,3,4,5,6,7-HEXAHYDRO-1,1,5,5-TETRAMETHYL-, (+/-)- | NCGC00255851-01 | 2H-2,4a-Methano

Especificações e pureza

≥98%(GC), sum of enantiomers

Condições de armazenamento de armazenamento

Room temperature

Tipo de ação

INHIBITOR

Nota

This (-)-isolongifolene has an enantiomeric purity of 93%; it is thus the highest purity material ever offered commercially; the double bond can be epoxidized

Pureza

≥98%(GC)

Nomes e identificadores

• Sorrisos canónicos: CC1(CCC=C2C13CCC(C3)C2(C)C)C
• IUPAC Name: (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
• InChIKey: CQUAYTJDLQBXCQ-NHYWBVRUSA-N
• INCHI: 1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1
• SMILES isoméricas: CC1(CCC=C2[C@@]13CC[C@@H](C3)C2(C)C)C
• WGK Alemanha: 3
• Número UN: 2319
• Grupo de embalagem: III
• Peso molecular: 204.35
• Reaxy-Rn: 2044267
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044267&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Polycyclic hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Longifolane or isolongifolane sesquiterpenoid - Sesquiterpenoid - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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

• Ponto de inflamação (°F): 120.2 °F
• Ponto de inflamação (°C): 49 °C
• Ponto de ebulição (°C): 255-256° C
• Peso molecular: 204.350 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• 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: 332.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1