(-)-Isolongifolene - ≥91% , CAS No.1135-66-6

CAS: 1135-66-6 Cat. No.: I346332 Summenformel: C₁₅H₂₄ Molekulargewicht: 204.35 EG-Nummer: 214-494-2

GRADE & PURITY ≥91%

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

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥91%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥91%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: CC1(CCC=C2[C@@]13CC[C@@H](C3)C2(C)C)C
• WGK Deutschland: 3
• UN-Nummer: 2319
• Verpackungsgruppe: III
• Molekulargewicht: 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
    • Klasse Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 120.2 °F
• Flammpunkt (°C): 49 °C
• Siedepunkt (°C): 255-256° C
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥91% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1135-66-6, the molecular formula is C15H24, and the molecular weight is 204.35 g/mol. InChIKey CQUAYTJDLQBXCQ-NHYWBVRUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.