5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione

Basic Information

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CAS Number

172611-72-2

Molecular Formula

C13H20O3

Molecular Weight

224.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Refractive Index

n20/D 1.498

SMILES

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O=C1C(C(CC(C)C)=O)C(CC(C)(C)C1)=O

InChI

InChI=1S/C13H20O3/c1-8(2)5-9(14)12-10(15)6-13(3,4)7-11(12)16/h8,12H,5-7H2,1-4H3

InChIKey

HNPWTDUZIXAJSA-UHFFFAOYSA-N

LogP

2.176

Topological Polar Surface Area

51.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

306

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione
2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethyl-1,3-cyclohexanedione
2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE
Dmab-OH
Ivdde-OH
Ddiv
2-(1-Hydroxy-3-methylbutylidene)dimedone
DMAB-OH, Ivdde-OH
2-ISOVALERYLDIMEDONE
5,5-DIMETHYL-2-(3-METHYLBUTYRYL)-1,3-CYCLOHEXANEDIONE
2-(1-hydroxy-3-Methylbutylidene)-5,5-diMethylcyclohexane-1,3-dione
2-Isovaleryldimedone, 5,5-Dimethyl-2-(3-methylbutyryl)-1,3-cyclohexanedione, Ddiv
AK123204
BCP10078
8889AA
AX8247382
ST24044044
2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIO
2-(3-Methylbutyryl)-5,5-dimethyl-1,3-cyclohexan

MDL Number

MFCD01862890

Customs Code

2914299000

FAQ

What regulatory guidelines apply to 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione (CAS: 172611-72-2)?

5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione (CAS: 172611-72-2) falls under various regulatory guidelines including GHS for labeling and safety data sheets. In the European Union, it is managed under REACH regulations, and in the United States, it may be subject to FDA and EPA requirements for chemical handling and disposal.

Are there alternatives to 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione in synthesis?

Alternative reagents such as 5,5-Dimethyl-2-(butanoyl)cyclohexane-1,3-dione or other cyclohexane derivatives can be used as substitutes. These alternatives may vary in reactivity and yield, but they offer similar functional groups for diverse synthetic pathways.

What is the market or research trend for 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione (CAS: 172611-72-2)?

The market for 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione (CAS: 172611-72-2) is driven by its use in pharmaceutical and chemical research. Recent trends indicate growing interest in its applications for medicinal chemistry and as a precursor in organic synthesis. Emerging research focuses on its potential in developing new drug candidates and material science applications.

How should waste containing 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione (CAS: 172611-72-2) be handled?

Waste containing 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione (CAS: 172611-72-2) should be collected in appropriate containers and stored in a well-ventilated area until disposal. For safe disposal, incineration is a common method, and professional waste disposal services should be utilized to ensure compliance with local and international regulations.