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

CAS: 1135-66-6 Cat. No.: I465381 Formula: C₁₅H₂₄ Peso molecolare: 204.35 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%(GC), sum of enantiomers

Condizioni di conservazione di stoccaggio

Room temperature

Tipo di azione

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

Purezza

≥98%(GC)

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: CC1(CCC=C2[C@@]13CC[C@@H](C3)C2(C)C)C
• WGK Germania: 3
• Numero UN: 2319
• Gruppo di imballaggio: III
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 120.2 °F
• Punto di infiammabilità (°C): 49 °C
• Punto di ebollizione (°C): 255-256° C
• Peso molecolare: 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