7-Methoxy-1-methyl-3,4-dihydronaphthalen-2(1H)-one - ≥98% , CAS No.1204-23-5

CAS: 1204-23-5 Cat. No.: M302609 Molecular Weight: 190.238

GRADE & PURITY ≥98%

Synonyms

1-methyl- 7-methoxy-2-tetralone | 7-methoxy-1-methyl-tetralin-2-one | DTXSID601305388 | AS-32497 | 1-methyl-7-methoxy-2-tetralone | 7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one | BAA20423 | 3,4-dihydro-7-methoxy-1-methyl-2(1H)-naphthalenone | SCHEMB

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1-methyl- 7-methoxy-2-tetralone | 7-methoxy-1-methyl-tetralin-2-one | DTXSID601305388 | AS-32497 | 1-methyl-7-methoxy-2-tetralone | 7-methoxy-1-methyl-3, 4-dihydro-1H-naphthalen-2-one | BAA20423 | 3, 4-dihydro-7-methoxy-1-methyl-2(1H)-naphthalenone | SCHEMB

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765621
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765621
• Canonical Smiles: CC1C(=O)CCC2=C1C=C(C=C2)OC
• IUPAC Name: 7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
• InChIKey: DYIWPPSNJSVFED-UHFFFAOYSA-N
• INCHI: 1S/C12H14O2/c1-8-11-7-10(14-2)5-3-9(11)4-6-12(8)13/h3,5,7-8H,4,6H2,1-2H3
• Isomeric SMILES: CC1C(=O)CCC2=C1C=C(C=C2)OC
• Molecular Weight: 190.238
• Reaxy-Rn: 1455845
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1455845&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: Anisoles Alkyl aryl ethers Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Phenol ether - Anisole - Alkyl aryl ether - Cyclic ketone - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

• Molecular Weight: 190.240 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.099 Da
• Monoisotopic Mass: 190.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• 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

References

1. Guoke Zhao, Ke Zhou, Ruirui Hu, Hongwei Zhu.  (2022)  Graphene oxide nanofiltration membranes with confined Na+ in two-dimensional nanochannels.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2022.122321]

2. Guoke Zhao, Ruirui Hu, Xuanliang Zhao, Yijia He, Hongwei Zhu.  (2019)  High flux nanofiltration membranes prepared with a graphene oxide homo-structure.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2019.05.028]