Guaiazulene - ≥99% , CAS No.489-84-9

CAS: 489-84-9 Cat. No.: G137246 Formule: C₁₅H₁₈ Poids moléculaire: 198.31 Beilstein Registry Number: 5(2)473 Numéro CE: 207-701-2

GRADE & PURITY ≥99%

Synonyms

Azulene,4-dimethyl- | GUAIAZULENE [WHO-DD] | S-Guaiazulene | 1,4-Dimethyl-7-(1-methylethyl)azulene | 1,4-dimethyl-7-(1-methylethyl)-azulene | UNII-2OZ1K9JKQC | 1,4-Dimethyl-7-(1-methyl)-azulene (azulon) | STK801958 | AZ-8 beris | Azulene, 7-isopropyl-1,4-

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Application

Guaiazulene can be used as a starting material for the synthesis of: Azulene-based dye molecules such as 3-(7-isopropyl-1,4-dimethylazulen-3-yl)-2-cyanoacrylic acid and 5-(7-isopropyl-1,4-dimethylazulen-3-yl)-2-cyanopenta-2,4-dienoic acid. Stilbazulenyl nitrone, a second-generation azulenyl nitrone which can be used as a chain-breaking antioxidant. Bis-azulenyl based near-infrared fluorescence quencher.

Specifications

Synonymes

Azulene,4-dimethyl- | GUAIAZULENE [WHO-DD] | S-Guaiazulene | 1,4-Dimethyl-7-(1-methylethyl)azulene | 1,4-dimethyl-7-(1-methylethyl)-azulene | UNII-2OZ1K9JKQC | 1,4-Dimethyl-7-(1-methyl)-azulene (azulon) | STK801958 | AZ-8 beris | Azulene, 7-isopropyl-1,4-

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 504750681
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750681
• Sourires canoniques: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
• IUPAC Name: 1,4-dimethyl-7-propan-2-ylazulene
• InChIKey: FWKQNCXZGNBPFD-UHFFFAOYSA-N
• INCHI: 1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
• Isomères SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
• WGK Allemagne: 3
• RTECS: CO4790000
• Poids moléculaire: 198.31
• Beilstein: 5(2)473
• Reaxy-Rn: 1365001
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1365001&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: Guaianes
• Alternative Parents: Azulenes Aromatic hydrocarbons Polycyclic hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Guaiane sesquiterpenoid - Azulene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively.
• External Descriptors: Guaiane sesquiterpenoids

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in alcohol, water, 0.1115 mg/L @ 25°C (est).
• Sensibilité: Light sensitive
• Point d'éclair (°F): 230°F
• Point d'éclair (°C): >110℃
• Point d'ébullition (°C): 153 °C/7 mmHg
• Point de fusion (°C): 27-29°C
• Poids moléculaire: 198.300 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 198.141 Da
• Monoisotopic Mass: 198.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 206.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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