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

Overview

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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755983
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755983
• Canonical Smiles: 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
• Isomeric SMILES: CC1=CC2=C(CCCC2=O)C=C1
• Molecular Weight: 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
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Chemical and Physical Properties

• Solubility: souble in Methanol
• Sensitivity: Air sensitive
• Flash Point(°C): 121 °C
• Boil Point(°C): 144 °C
• Melt Point(°C): 35 °C
• Molecular Weight: 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