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

CAS: 1590-08-5 Cat. No.: M167630 Formule: C₁₁H₁₂O Poids moléculaire: 160.21 Numéro CE: 216-461-8

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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.

Spécifications

Synonymes

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)-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488187310

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CC1CCC2=CC=CC=C2C1=O

WGK Allemagne

3

Poids moléculaire

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
    • Classe Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: not soluble in water
• Sensibilité: Air Sensitive
• Indice de réfraction: 1.552
• Point d'éclair (°F): >235.4 °F
• Point d'éclair (°C): >113 °C
• Point d'ébullition (°C): 129℃
• Point de fusion (°C): 15℃
• Poids moléculaire: 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