5,6-Dimethyl-1-indanone

Basic Information

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CAS Number

16440-97-4

Molecular Formula

C11H12O

Molecular Weight

160.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC1=CC2=C(C=C1C)C(=O)CC2

InChI

InChI=1S/C11H12O/c1-7-5-9-3-4-11(12)10(9)6-8(7)2/h5-6H,3-4H2,1-2H3

InChIKey

ZAZMJPVXTZEDDN-UHFFFAOYSA-N

LogP

2.432340000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

197

Synonyms & References

English

InChI=1/C11H12O/c1-7-5-9-3-4-11(12)10(9)6-8(7)2/h5-6H,3-4H2,1-2H
1H-Inden-1-one, 2,3-dihydro-5,6-dimethyl-
5,6-Dimethyl-indan-1-one
DTXSID10167759
5,6-Dimethyl-1-indanone #
AM9188
MFCD00666126
Z1198154494
5,6-DIMETHYL-1-INDANONE
5,6-Dimethyl-2,3-dihydro-1H-inden-1-one
A882458
SCHEMBL1273997
1-Indanone, 5,6-dimethyl-
5,6-dimethylindan-1-one
AKOS006272530
5,6-Dimethyl-2,3-dihydro-1H-indene-1-one
FS-3699
16440-97-4
5,6-dimethyl-2,3-dihydroinden-1-one
EN300-264231
CS-0152900
1H-Inden-1-one,2,3-dihydro-5,6-dimethyl-
5,6-Dimethyl-1-Indanone
5,6-Dimethyl-2,3-Dihydro-1H-Indene-1-One
5,6-Dimethylindan-1-one
1H-Inden-1-one, 2,3-dihydro-5,6-diMethyl-
ZAZMJPVXTZEDDN-UHFFFAOYSA-N
AMOT0659
FCH841837
OR19567
BC284859

MDL Number

MFCD00666126

FAQ

What are the physical and chemical properties of 5,6-Dimethyl-1-indanone (CAS: 16440-97-4)?

5,6-Dimethyl-1-indanone (CAS: 16440-97-4) is a colorless liquid with a molecular weight of 130.18 g/mol. It has a melting point of -42°C and a boiling point of 200°C. This compound is sparingly soluble in water but fully miscible with common organic solvents. It is mildly reactive and can undergo condensation reactions under certain conditions.

How is 5,6-Dimethyl-1-indanone (CAS: 16440-97-4) typically synthesized?

5,6-Dimethyl-1-indanone can be synthesized through the Wittig reaction where methyl iodide is reacted with indanone in the presence of a phosphonium salt. Alternatively, it can be prepared by the oxidation of 5,6-dimethylindan, often using a combination of sodium hypochlorite and sodium hydroxide under controlled conditions to ensure high selectivity and yield.

What industries use 5,6-Dimethyl-1-indanone (CAS: 16440-97-4)?

5,6-Dimethyl-1-indanone (CAS: 16440-97-4) is primarily used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also utilized in the production of sensors and semiconductors as a precursor material. Additionally, it plays a role in the development of polymer-based materials, although its specific applications in this field are limited.

What precautions should be taken when handling 5,6-Dimethyl-1-indanone (CAS: 16440-97-4)?

When handling 5,6-Dimethyl-1-indanone (CAS: 16440-97-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In the event of a spill, use appropriate absorbents to contain the spill and dispose of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.