3-Methyl-1-indanone - ≥98% , CAS No.6072-57-7

CAS: 6072-57-7 Cat. No.: M123327 Formula: C₁₀H₁₀O Peso molecolare: 146.19 Numero EC: 692-376-3

GRADE & PURITY ≥98%

Synonyms

6072-57-7|3-Methyl-1-indanone|3-Methyl-2,3-dihydro-1H-inden-1-one|3-Methylindan-1-One|3-Methylindanone|3-methyl-2,3-dihydroinden-1-one|3-Methyl-indan-1-one|1H-Inden-1-one, 2,3-dihydro-3-methyl-|1-Indanone, 3-methyl-|2,3-Dihydro-3-methyl-1H-inden-1-one|XJW

Storage

Room temperature

Shipped In

Normal

Panoramica

3-Methyl-1-indanone is a derivative of 1-indanone.Its synthesis has been reported. The 1H and 13C-NMR spectra of 3-methyl-1-indanone has been reported. Biocatalyzed oxidation of racemic 3-methyl-1-indanone with high enanatioselectivity has been investigated.
3-Methyl-1-indanone is suitable for the synthesis of branched alkyl indanes (BINs). It may be used in the following studies: · Synthesis of 2,2,3-tribromo-2,3-dihydro-3-methylinden-1-one and 2-bromo-3-bromomethyl-1H-inden-1-one. · As photosensitizers for the splitting of dimethylthymine dimers. · As a model to verify three-phase model in enantioselective gas-liquid chromatography. · (-)-(R)-3-methyl-1-indanone may be used as standard for comparing the optical rotatory disper sion curve with 1,3-dialkylindenes in the study of base-catalyzed 1,3 proton transfer in indene systems. · As an optically active sensitizer to induce asymmetry in trans-1,2-diphenylcylcopropane (DPC). · The dl-isomers of 3-methyl-1-indanone may be used in the synthesis of monomeric and trimeric 3-methyl-1-indanethione.

Specifications

Sinonimi

6072-57-7 | 3-Methyl-1-indanone | 3-Methyl-2,3-dihydro-1H-inden-1-one | 3-Methylindan-1-One | 3-Methylindanone | 3-methyl-2,3-dihydroinden-1-one | 3-Methyl-indan-1-one | 1H-Inden-1-one, 2,3-dihydro-3-methyl- | 1-Indanone, 3-methyl- | 2,3-Dihydro-3-methyl-1H-inden-1-one | XJW

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504758176

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758176

Sorrisi canonici

CC1CC(=O)C2=CC=CC=C12

IUPAC Name

3-methyl-2,3-dihydroinden-1-one

InChIKey

XVTQSYKCADSUHN-UHFFFAOYSA-N

INCHI

1S/C10H10O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3

Isomeri SMILES

CC1CC(=O)C2=CC=CC=C12

WGK Germania

3

Peso molecolare

146.19

Reaxy-Rn

1238622

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238622&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
• 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): >235.4 °F
• Punto di infiammabilità (°C): >113 °C
• Punto di ebollizione (°C): 70-72°C/0.7mmHg
• Peso molecolare: 146.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.073 Da
• Monoisotopic Mass: 146.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 174.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6072-57-7, the molecular formula is C10H10O, and the molecular weight is 146.19 g/mol. InChIKey XVTQSYKCADSUHN-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.