2-Methyl-1-tetralone - ≥98% , CAS No.1590-08-5

CAS: 1590-08-5 Cat. No.: M167630 Fórmula: C₁₁H₁₂O Peso molecular: 160.21 Número EC: 216-461-8

CALIDAD & PUREZA ≥98%

Synonyms

CHEBI:156394 | 2-Methyl-3,4-dihydro-1(2H)-naphthalenone # | M0167 | A809991 | SY101951 | AKOS009158848 | J-009556 | WLN: VHY1&1 | EN300-124653 | 2-methyl-alpha-tetralone | 2-methyl-1,2,3,4-tetrahydronaphthalen-1-one | 2-methyl-3,4-dihydronaphthalen-1(2H)-

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

2-Methyl-1-tetralone undergoes enantioselective hydrogenation catalyzed by 1,4-diamine-ruthenium(II) complexes.
2-Methyl-1-tetralone was used in enantioselective separation of indan, tetralin and benzosuberan derivatives in the presence of chiral additives by capillary electrophoresis.

Especificaciones

Sinónimos

CHEBI:156394 | 2-Methyl-3,4-dihydro-1(2H)-naphthalenone # | M0167 | A809991 | SY101951 | AKOS009158848 | J-009556 | WLN: VHY1&1 | EN300-124653 | 2-methyl-alpha-tetralone | 2-methyl-1,2,3,4-tetrahydronaphthalen-1-one | 2-methyl-3,4-dihydronaphthalen-1(2H)-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488187310

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187310

Sonrisas canónicas

CC1CCC2=CC=CC=C2C1=O

IUPAC Name

2-methyl-3,4-dihydro-2H-naphthalen-1-one

InChIKey

GANIBVZSZGNMNB-UHFFFAOYSA-N

INCHI

1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3

Isómeros SMILES

CC1CCC2=CC=CC=C2C1=O

WGK Alemania

3

Peso molecular

160.21

Reaxy-Rn

1909604

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909604&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: not soluble in water
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.552
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >113 °C
• Punto de ebullición (°C): 129℃
• Punto de fusión (°C): 15℃
• Peso molecular: 160.210 g/mol
• XLogP3: 2.600
• 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: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1