7-Methyl-3,4-dihydronaphthalen-1(2H)-one - ≥98% , CAS No.22009-37-6

CAS: 22009-37-6 Cat. No.: M192100 Peso molecular: 160.21 Número EC: 244-717-9

GRADE & PURITY ≥98%

Synonyms

7-Methyl-.alpha.-tetralone | 7-Methyl-alpha-tetralone | Z1008431156 | EN300-102330 | MB00615 | UNII-M6W8PW7VP8 | GGMYZZBVIWUXEC-UHFFFAOYSA-N | M3255 | 7-Methyl-1-tetralon | NSC115847 | NSC-115847 | SCHEMBL1274936 | 3,4-Dihydro-7-methyl-1(2H)-naphthalenone

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Application：

7-Methyltetralone is an intermediate in the synthesis of (±)-cis-Calamenene (~7:1 ratio of cis/trans) , a sesquiterpene and a volatile metabolite from Salvia fruticosa plants. This compound may be a potential antimicrobial, antifungal, and anti-inflammatory agent.

Specifications

Sinónimos

7-Methyl-.alpha.-tetralone | 7-Methyl-alpha-tetralone | Z1008431156 | EN300-102330 | MB00615 | UNII-M6W8PW7VP8 | GGMYZZBVIWUXEC-UHFFFAOYSA-N | M3255 | 7-Methyl-1-tetralon | NSC115847 | NSC-115847 | SCHEMBL1274936 | 3, 4-Dihydro-7-methyl-1(2H)-naphthalenone

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755983
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755983
• Sonrisas canónicas: CC1=CC2=C(CCCC2=O)C=C1
• IUPAC Name: 7-methyl-3,4-dihydro-2H-naphthalen-1-one
• InChIKey: GGMYZZBVIWUXEC-UHFFFAOYSA-N
• INCHI: 1S/C11H12O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h5-7H,2-4H2,1H3
• Isómeros SMILES: CC1=CC2=C(CCCC2=O)C=C1
• Peso molecular: 160.21
• Reaxy-Rn: 1934462
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1934462&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Propiedades químicas y físicas

• Solubilidad: souble in Methanol
• Sensibilidad: Air sensitive
• Punto de inflamación (°C): 121 °C
• Punto de ebullición (°C): 144 °C
• Punto de fusión (°C): 35 °C
• Peso molecular: 160.210 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.089 Da
• Monoisotopic Mass: 160.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• 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