Skip to the beginning of the images gallery

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

COA

Grade & Purity:

≥98%

Cas Number: 6072-57-7
Molecular Weight: 146.19
MDL number: MFCD00156725
PubChem CID: 259560
PubChem SID: 504758176

In stock

Item Number

M123327

Grouped product items
SKU	Size	Availability	Price
M123327-250mg	250mg	3	$84.90
M123327-1g	1g	3	$234.90
M123327-5g	5g	1	$934.90

Basic Description

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
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Indanes
    - Subclass Indanones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
Description	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
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

Names and Identifiers

Pubchem Sid	504758176
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758176
IUPAC Name	3-methyl-2,3-dihydroinden-1-one
INCHI	InChI=1S/C10H10O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKey	XVTQSYKCADSUHN-UHFFFAOYSA-N
Smiles	CC1CC(=O)C2=CC=CC=C12
Isomeric SMILES	CC1CC(=O)C2=CC=CC=C12
WGK Germany	3
Molecular Weight	146.19
Reaxy-Rn	1238622
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238622&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
G23151008	Certificate of Analysis	Mar 27, 2023	M123327
G2315989	Certificate of Analysis	Mar 27, 2023	M123327
G23151000	Certificate of Analysis	Mar 27, 2023	M123327

Chemical and Physical Properties

Flash Point(°F)	>235.4 °F
Flash Point(°C)	>113 °C
Boil Point(°C)	70-72°C/0.7mmHg
Molecular Weight	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 Å²
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration